Program PWSCF v.5.4.0 starts on 11Feb2017 at 6:12:54 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./LiMgSnAu.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 60 58 16 1863 1783 260 Max 61 59 17 1867 1797 264 Sum 2185 2107 583 67097 64431 9409 bravais-lattice index = 14 lattice parameter (alat) = 8.6388 a.u. unit-cell volume = 455.8711 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 4 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.638779 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Sn read from file: /users/gautes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Sn 14.00 118.71000 Sn( 1.00) Li 3.00 6.94100 Li( 1.00) Mg 10.00 24.30500 Mg( 1.00) Au 11.00 196.96660 Au( 1.00) 6 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 2 3 120 deg rotation - cryst. axis [0,0,1] -2C3 -2 -3 120 deg rotation - cryst. axis [0,0,1] E 3s_v 4 5 -6 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 6 -4 -5 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 328 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0102041 -0.0058913 0.0083316), wk = 0.0030488 k( 3) = ( 0.0204082 -0.0117827 0.0166632), wk = 0.0030488 k( 4) = ( 0.0306122 -0.0176740 0.0249948), wk = 0.0030488 k( 5) = ( 0.0408163 -0.0235653 0.0333264), wk = 0.0030488 k( 6) = ( 0.0510204 -0.0294566 0.0416580), wk = 0.0030488 k( 7) = ( 0.0612245 -0.0353480 0.0499896), wk = 0.0030488 k( 8) = ( 0.0714286 -0.0412393 0.0583212), wk = 0.0030488 k( 9) = ( 0.0816327 -0.0471306 0.0666528), wk = 0.0030488 k( 10) = ( 0.0918367 -0.0530220 0.0749844), wk = 0.0030488 k( 11) = ( 0.1020408 -0.0589133 0.0833160), wk = 0.0030488 k( 12) = ( 0.1122449 -0.0648046 0.0916476), wk = 0.0030488 k( 13) = ( 0.1224490 -0.0706960 0.0999792), wk = 0.0030488 k( 14) = ( 0.1326531 -0.0765873 0.1083108), wk = 0.0030488 k( 15) = ( 0.1428571 -0.0824786 0.1166424), wk = 0.0030488 k( 16) = ( 0.1530612 -0.0883699 0.1249740), wk = 0.0030488 k( 17) = ( 0.1632653 -0.0942613 0.1333056), wk = 0.0030488 k( 18) = ( 0.1734694 -0.1001526 0.1416372), wk = 0.0030488 k( 19) = ( 0.1836735 -0.1060439 0.1499688), wk = 0.0030488 k( 20) = ( 0.1938776 -0.1119353 0.1583004), wk = 0.0030488 k( 21) = ( 0.2040816 -0.1178266 0.1666320), wk = 0.0030488 k( 22) = ( 0.2142857 -0.1237179 0.1749635), wk = 0.0030488 k( 23) = ( 0.2244898 -0.1296092 0.1832952), wk = 0.0030488 k( 24) = ( 0.2346939 -0.1355006 0.1916268), wk = 0.0030488 k( 25) = ( 0.2448980 -0.1413919 0.1999583), wk = 0.0030488 k( 26) = ( 0.2551020 -0.1472832 0.2082899), wk = 0.0030488 k( 27) = ( 0.2653061 -0.1531746 0.2166215), wk = 0.0030488 k( 28) = ( 0.2755102 -0.1590659 0.2249531), wk = 0.0030488 k( 29) = ( 0.2857143 -0.1649572 0.2332847), wk = 0.0030488 k( 30) = ( 0.2959184 -0.1708486 0.2416163), wk = 0.0030488 k( 31) = ( 0.3061224 -0.1767399 0.2499479), wk = 0.0030488 k( 32) = ( 0.3163265 -0.1826312 0.2582795), wk = 0.0030488 k( 33) = ( 0.3265306 -0.1885225 0.2666111), wk = 0.0030488 k( 34) = ( 0.3367347 -0.1944139 0.2749427), wk = 0.0030488 k( 35) = ( 0.3469388 -0.2003052 0.2832743), wk = 0.0030488 k( 36) = ( 0.3571429 -0.2061965 0.2916059), wk = 0.0030488 k( 37) = ( 0.3673469 -0.2120879 0.2999375), wk = 0.0030488 k( 38) = ( 0.3775510 -0.2179792 0.3082691), wk = 0.0030488 k( 39) = ( 0.3877551 -0.2238705 0.3166007), wk = 0.0030488 k( 40) = ( 0.3979592 -0.2297618 0.3249323), wk = 0.0030488 k( 41) = ( 0.4081633 -0.2356532 0.3332639), wk = 0.0030488 k( 42) = ( 0.4183674 -0.2415445 0.3415955), wk = 0.0030488 k( 43) = ( 0.4285714 -0.2474358 0.3499271), wk = 0.0030488 k( 44) = ( 0.4387755 -0.2533272 0.3582587), wk = 0.0030488 k( 45) = ( 0.4489796 -0.2592185 0.3665903), wk = 0.0030488 k( 46) = ( 0.4591837 -0.2651098 0.3749219), wk = 0.0030488 k( 47) = ( 0.4693878 -0.2710011 0.3832535), wk = 0.0030488 k( 48) = ( 0.4795918 -0.2768925 0.3915851), wk = 0.0030488 k( 49) = ( 0.4897959 -0.2827838 0.3999167), wk = 0.0030488 k( 50) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030488 k( 51) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030488 k( 52) = ( 0.5000000 -0.2771281 0.4164133), wk = 0.0030488 k( 53) = ( 0.5000000 -0.2655811 0.4245782), wk = 0.0030488 k( 54) = ( 0.5000000 -0.2540341 0.4327432), wk = 0.0030488 k( 55) = ( 0.5000000 -0.2424871 0.4409082), wk = 0.0030488 k( 56) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0030488 k( 57) = ( 0.5000000 -0.2193931 0.4572381), wk = 0.0030488 k( 58) = ( 0.5000000 -0.2078461 0.4654031), wk = 0.0030488 k( 59) = ( 0.5000000 -0.1962991 0.4735680), wk = 0.0030488 k( 60) = ( 0.5000000 -0.1847521 0.4817330), wk = 0.0030488 k( 61) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0030488 k( 62) = ( 0.5000000 -0.1616581 0.4980629), wk = 0.0030488 k( 63) = ( 0.5000000 -0.1501111 0.5062279), wk = 0.0030488 k( 64) = ( 0.5000000 -0.1385641 0.5143928), wk = 0.0030488 k( 65) = ( 0.5000000 -0.1270171 0.5225578), wk = 0.0030488 k( 66) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0030488 k( 67) = ( 0.5000000 -0.1039230 0.5388877), wk = 0.0030488 k( 68) = ( 0.5000000 -0.0923760 0.5470527), wk = 0.0030488 k( 69) = ( 0.5000000 -0.0808290 0.5552177), wk = 0.0030488 k( 70) = ( 0.5000000 -0.0692820 0.5633826), wk = 0.0030488 k( 71) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0030488 k( 72) = ( 0.5000000 -0.0461880 0.5797126), wk = 0.0030488 k( 73) = ( 0.5000000 -0.0346410 0.5878775), wk = 0.0030488 k( 74) = ( 0.5000000 -0.0230940 0.5960425), wk = 0.0030488 k( 75) = ( 0.5000000 -0.0115470 0.6042075), wk = 0.0030488 k( 76) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0030488 k( 77) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0030488 k( 78) = ( 0.4930556 0.0120281 0.6123724), wk = 0.0030488 k( 79) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0030488 k( 80) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0030488 k( 81) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0030488 k( 82) = ( 0.4652778 0.0601406 0.6123724), wk = 0.0030488 k( 83) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0030488 k( 84) = ( 0.4513889 0.0841969 0.6123724), wk = 0.0030488 k( 85) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0030488 k( 86) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0030488 k( 87) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0030488 k( 88) = ( 0.4236111 0.1323094 0.6123724), wk = 0.0030488 k( 89) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0030488 k( 90) = ( 0.4097222 0.1563657 0.6123724), wk = 0.0030488 k( 91) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0030488 k( 92) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0030488 k( 93) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0030488 k( 94) = ( 0.3819444 0.2044782 0.6123724), wk = 0.0030488 k( 95) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030488 k( 96) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030488 k( 97) = ( 0.3677885 0.2123428 0.6005960), wk = 0.0030488 k( 98) = ( 0.3605769 0.2081792 0.5888197), wk = 0.0030488 k( 99) = ( 0.3533654 0.2040156 0.5770433), wk = 0.0030488 k( 100) = ( 0.3461538 0.1998520 0.5652669), wk = 0.0030488 k( 101) = ( 0.3389423 0.1956884 0.5534905), wk = 0.0030488 k( 102) = ( 0.3317308 0.1915248 0.5417141), wk = 0.0030488 k( 103) = ( 0.3245192 0.1873613 0.5299377), wk = 0.0030488 k( 104) = ( 0.3173077 0.1831977 0.5181613), wk = 0.0030488 k( 105) = ( 0.3100962 0.1790341 0.5063849), wk = 0.0030488 k( 106) = ( 0.3028846 0.1748705 0.4946085), wk = 0.0030488 k( 107) = ( 0.2956731 0.1707069 0.4828321), wk = 0.0030488 k( 108) = ( 0.2884615 0.1665433 0.4710557), wk = 0.0030488 k( 109) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0030488 k( 110) = ( 0.2740385 0.1582162 0.4475029), wk = 0.0030488 k( 111) = ( 0.2668269 0.1540526 0.4357265), wk = 0.0030488 k( 112) = ( 0.2596154 0.1498890 0.4239502), wk = 0.0030488 k( 113) = ( 0.2524038 0.1457254 0.4121737), wk = 0.0030488 k( 114) = ( 0.2451923 0.1415618 0.4003974), wk = 0.0030488 k( 115) = ( 0.2379808 0.1373983 0.3886210), wk = 0.0030488 k( 116) = ( 0.2307692 0.1332347 0.3768446), wk = 0.0030488 k( 117) = ( 0.2235577 0.1290711 0.3650682), wk = 0.0030488 k( 118) = ( 0.2163461 0.1249075 0.3532918), wk = 0.0030488 k( 119) = ( 0.2091346 0.1207439 0.3415154), wk = 0.0030488 k( 120) = ( 0.2019231 0.1165803 0.3297390), wk = 0.0030488 k( 121) = ( 0.1947115 0.1124168 0.3179626), wk = 0.0030488 k( 122) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0030488 k( 123) = ( 0.1802885 0.1040896 0.2944098), wk = 0.0030488 k( 124) = ( 0.1730769 0.0999260 0.2826334), wk = 0.0030488 k( 125) = ( 0.1658654 0.0957624 0.2708570), wk = 0.0030488 k( 126) = ( 0.1586539 0.0915988 0.2590806), wk = 0.0030488 k( 127) = ( 0.1514423 0.0874353 0.2473043), wk = 0.0030488 k( 128) = ( 0.1442308 0.0832717 0.2355279), wk = 0.0030488 k( 129) = ( 0.1370192 0.0791081 0.2237515), wk = 0.0030488 k( 130) = ( 0.1298077 0.0749445 0.2119751), wk = 0.0030488 k( 131) = ( 0.1225962 0.0707809 0.2001987), wk = 0.0030488 k( 132) = ( 0.1153846 0.0666173 0.1884223), wk = 0.0030488 k( 133) = ( 0.1081731 0.0624538 0.1766459), wk = 0.0030488 k( 134) = ( 0.1009615 0.0582902 0.1648695), wk = 0.0030488 k( 135) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0030488 k( 136) = ( 0.0865385 0.0499630 0.1413167), wk = 0.0030488 k( 137) = ( 0.0793269 0.0457994 0.1295403), wk = 0.0030488 k( 138) = ( 0.0721154 0.0416358 0.1177639), wk = 0.0030488 k( 139) = ( 0.0649038 0.0374723 0.1059875), wk = 0.0030488 k( 140) = ( 0.0576923 0.0333087 0.0942111), wk = 0.0030488 k( 141) = ( 0.0504808 0.0291451 0.0824348), wk = 0.0030488 k( 142) = ( 0.0432692 0.0249815 0.0706584), wk = 0.0030488 k( 143) = ( 0.0360577 0.0208179 0.0588820), wk = 0.0030488 k( 144) = ( 0.0288462 0.0166543 0.0471056), wk = 0.0030488 k( 145) = ( 0.0216346 0.0124908 0.0353292), wk = 0.0030488 k( 146) = ( 0.0144231 0.0083272 0.0235528), wk = 0.0030488 k( 147) = ( 0.0072115 0.0041636 0.0117764), wk = 0.0030488 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 150) = ( 0.0116279 0.0067134 0.0047471), wk = 0.0030488 k( 151) = ( 0.0232558 0.0134267 0.0094941), wk = 0.0030488 k( 152) = ( 0.0348837 0.0201401 0.0142412), wk = 0.0030488 k( 153) = ( 0.0465116 0.0268535 0.0189883), wk = 0.0030488 k( 154) = ( 0.0581395 0.0335669 0.0237354), wk = 0.0030488 k( 155) = ( 0.0697674 0.0402803 0.0284824), wk = 0.0030488 k( 156) = ( 0.0813954 0.0469936 0.0332295), wk = 0.0030488 k( 157) = ( 0.0930233 0.0537070 0.0379766), wk = 0.0030488 k( 158) = ( 0.1046512 0.0604204 0.0427237), wk = 0.0030488 k( 159) = ( 0.1162791 0.0671338 0.0474707), wk = 0.0030488 k( 160) = ( 0.1279070 0.0738471 0.0522178), wk = 0.0030488 k( 161) = ( 0.1395349 0.0805605 0.0569649), wk = 0.0030488 k( 162) = ( 0.1511628 0.0872739 0.0617120), wk = 0.0030488 k( 163) = ( 0.1627907 0.0939873 0.0664590), wk = 0.0030488 k( 164) = ( 0.1744186 0.1007006 0.0712061), wk = 0.0030488 k( 165) = ( 0.1860465 0.1074140 0.0759532), wk = 0.0030488 k( 166) = ( 0.1976744 0.1141274 0.0807002), wk = 0.0030488 k( 167) = ( 0.2093023 0.1208408 0.0854473), wk = 0.0030488 k( 168) = ( 0.2209302 0.1275541 0.0901944), wk = 0.0030488 k( 169) = ( 0.2325581 0.1342675 0.0949415), wk = 0.0030488 k( 170) = ( 0.2441860 0.1409809 0.0996885), wk = 0.0030488 k( 171) = ( 0.2558140 0.1476943 0.1044356), wk = 0.0030488 k( 172) = ( 0.2674419 0.1544076 0.1091827), wk = 0.0030488 k( 173) = ( 0.2790698 0.1611210 0.1139298), wk = 0.0030488 k( 174) = ( 0.2906977 0.1678344 0.1186768), wk = 0.0030488 k( 175) = ( 0.3023256 0.1745478 0.1234239), wk = 0.0030488 k( 176) = ( 0.3139535 0.1812611 0.1281710), wk = 0.0030488 k( 177) = ( 0.3255814 0.1879745 0.1329180), wk = 0.0030488 k( 178) = ( 0.3372093 0.1946879 0.1376651), wk = 0.0030488 k( 179) = ( 0.3488372 0.2014013 0.1424122), wk = 0.0030488 k( 180) = ( 0.3604651 0.2081146 0.1471593), wk = 0.0030488 k( 181) = ( 0.3720930 0.2148280 0.1519063), wk = 0.0030488 k( 182) = ( 0.3837209 0.2215414 0.1566534), wk = 0.0030488 k( 183) = ( 0.3953488 0.2282548 0.1614005), wk = 0.0030488 k( 184) = ( 0.4069767 0.2349681 0.1661476), wk = 0.0030488 k( 185) = ( 0.4186047 0.2416815 0.1708946), wk = 0.0030488 k( 186) = ( 0.4302326 0.2483949 0.1756417), wk = 0.0030488 k( 187) = ( 0.4418605 0.2551083 0.1803888), wk = 0.0030488 k( 188) = ( 0.4534884 0.2618216 0.1851359), wk = 0.0030488 k( 189) = ( 0.4651163 0.2685350 0.1898829), wk = 0.0030488 k( 190) = ( 0.4767442 0.2752484 0.1946300), wk = 0.0030488 k( 191) = ( 0.4883721 0.2819618 0.1993771), wk = 0.0030488 k( 192) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030488 k( 193) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030488 k( 194) = ( 0.5041667 0.2766470 0.2109283), wk = 0.0030488 k( 195) = ( 0.5083333 0.2646189 0.2177324), wk = 0.0030488 k( 196) = ( 0.5125000 0.2525907 0.2245366), wk = 0.0030488 k( 197) = ( 0.5166667 0.2405626 0.2313407), wk = 0.0030488 k( 198) = ( 0.5208333 0.2285345 0.2381448), wk = 0.0030488 k( 199) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0030488 k( 200) = ( 0.5291667 0.2044782 0.2517531), wk = 0.0030488 k( 201) = ( 0.5333333 0.1924501 0.2585572), wk = 0.0030488 k( 202) = ( 0.5375000 0.1804220 0.2653614), wk = 0.0030488 k( 203) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0030488 k( 204) = ( 0.5458333 0.1563657 0.2789697), wk = 0.0030488 k( 205) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0030488 k( 206) = ( 0.5541667 0.1323094 0.2925779), wk = 0.0030488 k( 207) = ( 0.5583333 0.1202813 0.2993821), wk = 0.0030488 k( 208) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0030488 k( 209) = ( 0.5666667 0.0962250 0.3129904), wk = 0.0030488 k( 210) = ( 0.5708333 0.0841969 0.3197945), wk = 0.0030488 k( 211) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0030488 k( 212) = ( 0.5791667 0.0601407 0.3334028), wk = 0.0030488 k( 213) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0030488 k( 214) = ( 0.5875000 0.0360844 0.3470110), wk = 0.0030488 k( 215) = ( 0.5916667 0.0240563 0.3538152), wk = 0.0030488 k( 216) = ( 0.5958333 0.0120281 0.3606193), wk = 0.0030488 k( 217) = ( 0.6000000 -0.0000000 0.3674235), wk = 0.0030488 k( 218) = ( 0.6041667 -0.0120281 0.3742276), wk = 0.0030488 k( 219) = ( 0.6083333 -0.0240563 0.3810317), wk = 0.0030488 k( 220) = ( 0.6125000 -0.0360844 0.3878359), wk = 0.0030488 k( 221) = ( 0.6166667 -0.0481125 0.3946400), wk = 0.0030488 k( 222) = ( 0.6208333 -0.0601407 0.4014442), wk = 0.0030488 k( 223) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030488 k( 224) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030488 k( 225) = ( 0.6180556 -0.0681594 0.4195885), wk = 0.0030488 k( 226) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0030488 k( 227) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0030488 k( 228) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0030488 k( 229) = ( 0.5902778 -0.0521219 0.4649494), wk = 0.0030488 k( 230) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0030488 k( 231) = ( 0.5763889 -0.0441031 0.4876299), wk = 0.0030488 k( 232) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0030488 k( 233) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0030488 k( 234) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0030488 k( 235) = ( 0.5486111 -0.0280656 0.5329908), wk = 0.0030488 k( 236) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0030488 k( 237) = ( 0.5347222 -0.0200469 0.5556713), wk = 0.0030488 k( 238) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0030488 k( 239) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0030488 k( 240) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0030488 k( 241) = ( 0.5069444 -0.0040094 0.6010322), wk = 0.0030488 k( 242) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0030488 k( 243) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0030488 k( 244) = ( 0.5000000 0.0082479 0.6007082), wk = 0.0030488 k( 245) = ( 0.5000000 0.0164957 0.5890440), wk = 0.0030488 k( 246) = ( 0.5000000 0.0247436 0.5773797), wk = 0.0030488 k( 247) = ( 0.5000000 0.0329914 0.5657155), wk = 0.0030488 k( 248) = ( 0.5000000 0.0412393 0.5540512), wk = 0.0030488 k( 249) = ( 0.5000000 0.0494872 0.5423870), wk = 0.0030488 k( 250) = ( 0.5000000 0.0577350 0.5307228), wk = 0.0030488 k( 251) = ( 0.5000000 0.0659829 0.5190585), wk = 0.0030488 k( 252) = ( 0.5000000 0.0742307 0.5073943), wk = 0.0030488 k( 253) = ( 0.5000000 0.0824786 0.4957301), wk = 0.0030488 k( 254) = ( 0.5000000 0.0907265 0.4840658), wk = 0.0030488 k( 255) = ( 0.5000000 0.0989743 0.4724016), wk = 0.0030488 k( 256) = ( 0.5000000 0.1072222 0.4607374), wk = 0.0030488 k( 257) = ( 0.5000000 0.1154701 0.4490731), wk = 0.0030488 k( 258) = ( 0.5000000 0.1237179 0.4374089), wk = 0.0030488 k( 259) = ( 0.5000000 0.1319658 0.4257447), wk = 0.0030488 k( 260) = ( 0.5000000 0.1402136 0.4140804), wk = 0.0030488 k( 261) = ( 0.5000000 0.1484615 0.4024162), wk = 0.0030488 k( 262) = ( 0.5000000 0.1567094 0.3907519), wk = 0.0030488 k( 263) = ( 0.5000000 0.1649572 0.3790877), wk = 0.0030488 k( 264) = ( 0.5000000 0.1732051 0.3674235), wk = 0.0030488 k( 265) = ( 0.5000000 0.1814529 0.3557592), wk = 0.0030488 k( 266) = ( 0.5000000 0.1897008 0.3440950), wk = 0.0030488 k( 267) = ( 0.5000000 0.1979487 0.3324308), wk = 0.0030488 k( 268) = ( 0.5000000 0.2061965 0.3207665), wk = 0.0030488 k( 269) = ( 0.5000000 0.2144444 0.3091023), wk = 0.0030488 k( 270) = ( 0.5000000 0.2226922 0.2974380), wk = 0.0030488 k( 271) = ( 0.5000000 0.2309401 0.2857738), wk = 0.0030488 k( 272) = ( 0.5000000 0.2391880 0.2741096), wk = 0.0030488 k( 273) = ( 0.5000000 0.2474358 0.2624453), wk = 0.0030488 k( 274) = ( 0.5000000 0.2556837 0.2507811), wk = 0.0030488 k( 275) = ( 0.5000000 0.2639316 0.2391169), wk = 0.0030488 k( 276) = ( 0.5000000 0.2721794 0.2274526), wk = 0.0030488 k( 277) = ( 0.5000000 0.2804273 0.2157884), wk = 0.0030488 k( 278) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030488 k( 279) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030488 k( 280) = ( 0.4958333 0.2862695 0.2177324), wk = 0.0030488 k( 281) = ( 0.4916667 0.2838639 0.2313407), wk = 0.0030488 k( 282) = ( 0.4875000 0.2814583 0.2449490), wk = 0.0030488 k( 283) = ( 0.4833333 0.2790526 0.2585572), wk = 0.0030488 k( 284) = ( 0.4791667 0.2766470 0.2721655), wk = 0.0030488 k( 285) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0030488 k( 286) = ( 0.4708333 0.2718357 0.2993821), wk = 0.0030488 k( 287) = ( 0.4666667 0.2694301 0.3129904), wk = 0.0030488 k( 288) = ( 0.4625000 0.2670245 0.3265986), wk = 0.0030488 k( 289) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0030488 k( 290) = ( 0.4541667 0.2622132 0.3538152), wk = 0.0030488 k( 291) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0030488 k( 292) = ( 0.4458333 0.2574020 0.3810317), wk = 0.0030488 k( 293) = ( 0.4416667 0.2549964 0.3946400), wk = 0.0030488 k( 294) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0030488 k( 295) = ( 0.4333333 0.2501851 0.4218566), wk = 0.0030488 k( 296) = ( 0.4291667 0.2477795 0.4354648), wk = 0.0030488 k( 297) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0030488 k( 298) = ( 0.4208333 0.2429682 0.4626814), wk = 0.0030488 k( 299) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0030488 k( 300) = ( 0.4125000 0.2381570 0.4898979), wk = 0.0030488 k( 301) = ( 0.4083333 0.2357514 0.5035062), wk = 0.0030488 k( 302) = ( 0.4041667 0.2333457 0.5171145), wk = 0.0030488 k( 303) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0030488 k( 304) = ( 0.3958333 0.2285345 0.5443311), wk = 0.0030488 k( 305) = ( 0.3916667 0.2261289 0.5579393), wk = 0.0030488 k( 306) = ( 0.3875000 0.2237232 0.5715476), wk = 0.0030488 k( 307) = ( 0.3833333 0.2213176 0.5851559), wk = 0.0030488 k( 308) = ( 0.3791667 0.2189120 0.5987642), wk = 0.0030488 k( 309) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030488 k( 310) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030488 k( 311) = ( 0.6180556 -0.0841969 0.4082483), wk = 0.0030488 k( 312) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0030488 k( 313) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0030488 k( 314) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0030488 k( 315) = ( 0.5902778 -0.1323094 0.4082483), wk = 0.0030488 k( 316) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0030488 k( 317) = ( 0.5763889 -0.1563657 0.4082483), wk = 0.0030488 k( 318) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0030488 k( 319) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0030488 k( 320) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0030488 k( 321) = ( 0.5486111 -0.2044782 0.4082483), wk = 0.0030488 k( 322) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0030488 k( 323) = ( 0.5347222 -0.2285345 0.4082483), wk = 0.0030488 k( 324) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0030488 k( 325) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0030488 k( 326) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0030488 k( 327) = ( 0.5069444 -0.2766470 0.4082483), wk = 0.0030488 k( 328) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030488 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0102041 -0.0000000 0.0102041), wk = 0.0030488 k( 3) = ( 0.0204082 -0.0000000 0.0204082), wk = 0.0030488 k( 4) = ( 0.0306122 -0.0000000 0.0306122), wk = 0.0030488 k( 5) = ( 0.0408163 -0.0000000 0.0408163), wk = 0.0030488 k( 6) = ( 0.0510204 -0.0000000 0.0510204), wk = 0.0030488 k( 7) = ( 0.0612245 -0.0000000 0.0612245), wk = 0.0030488 k( 8) = ( 0.0714286 0.0000000 0.0714286), wk = 0.0030488 k( 9) = ( 0.0816327 -0.0000000 0.0816326), wk = 0.0030488 k( 10) = ( 0.0918367 -0.0000000 0.0918367), wk = 0.0030488 k( 11) = ( 0.1020408 -0.0000000 0.1020408), wk = 0.0030488 k( 12) = ( 0.1122449 -0.0000000 0.1122449), wk = 0.0030488 k( 13) = ( 0.1224490 -0.0000000 0.1224490), wk = 0.0030488 k( 14) = ( 0.1326531 0.0000000 0.1326531), wk = 0.0030488 k( 15) = ( 0.1428571 0.0000000 0.1428571), wk = 0.0030488 k( 16) = ( 0.1530612 -0.0000000 0.1530612), wk = 0.0030488 k( 17) = ( 0.1632653 -0.0000000 0.1632653), wk = 0.0030488 k( 18) = ( 0.1734694 -0.0000000 0.1734694), wk = 0.0030488 k( 19) = ( 0.1836735 0.0000000 0.1836735), wk = 0.0030488 k( 20) = ( 0.1938776 -0.0000000 0.1938775), wk = 0.0030488 k( 21) = ( 0.2040816 -0.0000000 0.2040816), wk = 0.0030488 k( 22) = ( 0.2142857 -0.0000000 0.2142857), wk = 0.0030488 k( 23) = ( 0.2244898 -0.0000000 0.2244898), wk = 0.0030488 k( 24) = ( 0.2346939 -0.0000000 0.2346939), wk = 0.0030488 k( 25) = ( 0.2448980 -0.0000000 0.2448980), wk = 0.0030488 k( 26) = ( 0.2551020 -0.0000000 0.2551020), wk = 0.0030488 k( 27) = ( 0.2653061 0.0000000 0.2653061), wk = 0.0030488 k( 28) = ( 0.2755102 -0.0000000 0.2755102), wk = 0.0030488 k( 29) = ( 0.2857143 0.0000000 0.2857143), wk = 0.0030488 k( 30) = ( 0.2959184 -0.0000000 0.2959184), wk = 0.0030488 k( 31) = ( 0.3061224 0.0000000 0.3061224), wk = 0.0030488 k( 32) = ( 0.3163265 -0.0000000 0.3163265), wk = 0.0030488 k( 33) = ( 0.3265306 0.0000000 0.3265306), wk = 0.0030488 k( 34) = ( 0.3367347 -0.0000000 0.3367347), wk = 0.0030488 k( 35) = ( 0.3469388 -0.0000000 0.3469388), wk = 0.0030488 k( 36) = ( 0.3571429 -0.0000000 0.3571429), wk = 0.0030488 k( 37) = ( 0.3673469 0.0000000 0.3673469), wk = 0.0030488 k( 38) = ( 0.3775510 -0.0000000 0.3775510), wk = 0.0030488 k( 39) = ( 0.3877551 -0.0000000 0.3877551), wk = 0.0030488 k( 40) = ( 0.3979592 -0.0000000 0.3979592), wk = 0.0030488 k( 41) = ( 0.4081633 -0.0000000 0.4081633), wk = 0.0030488 k( 42) = ( 0.4183674 -0.0000000 0.4183674), wk = 0.0030488 k( 43) = ( 0.4285714 -0.0000000 0.4285714), wk = 0.0030488 k( 44) = ( 0.4387755 0.0000000 0.4387755), wk = 0.0030488 k( 45) = ( 0.4489796 -0.0000000 0.4489796), wk = 0.0030488 k( 46) = ( 0.4591837 -0.0000000 0.4591837), wk = 0.0030488 k( 47) = ( 0.4693878 -0.0000000 0.4693878), wk = 0.0030488 k( 48) = ( 0.4795918 -0.0000000 0.4795918), wk = 0.0030488 k( 49) = ( 0.4897959 -0.0000000 0.4897959), wk = 0.0030488 k( 50) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030488 k( 51) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030488 k( 52) = ( 0.5000000 0.0100000 0.5100000), wk = 0.0030488 k( 53) = ( 0.5000000 0.0200000 0.5200000), wk = 0.0030488 k( 54) = ( 0.5000000 0.0300000 0.5300000), wk = 0.0030488 k( 55) = ( 0.5000000 0.0400000 0.5400000), wk = 0.0030488 k( 56) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0030488 k( 57) = ( 0.5000000 0.0600000 0.5600000), wk = 0.0030488 k( 58) = ( 0.5000000 0.0700000 0.5700000), wk = 0.0030488 k( 59) = ( 0.5000000 0.0800000 0.5800000), wk = 0.0030488 k( 60) = ( 0.5000000 0.0900000 0.5900000), wk = 0.0030488 k( 61) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0030488 k( 62) = ( 0.5000000 0.1100000 0.6100000), wk = 0.0030488 k( 63) = ( 0.5000000 0.1200000 0.6200000), wk = 0.0030488 k( 64) = ( 0.5000000 0.1300000 0.6300000), wk = 0.0030488 k( 65) = ( 0.5000000 0.1400000 0.6400000), wk = 0.0030488 k( 66) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0030488 k( 67) = ( 0.5000000 0.1600000 0.6600000), wk = 0.0030488 k( 68) = ( 0.5000000 0.1700000 0.6700000), wk = 0.0030488 k( 69) = ( 0.5000000 0.1800000 0.6800000), wk = 0.0030488 k( 70) = ( 0.5000000 0.1900000 0.6900000), wk = 0.0030488 k( 71) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0030488 k( 72) = ( 0.5000000 0.2100000 0.7100000), wk = 0.0030488 k( 73) = ( 0.5000000 0.2200000 0.7200000), wk = 0.0030488 k( 74) = ( 0.5000000 0.2300000 0.7300000), wk = 0.0030488 k( 75) = ( 0.5000000 0.2400000 0.7400000), wk = 0.0030488 k( 76) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030488 k( 77) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030488 k( 78) = ( 0.4930556 0.2569444 0.7500000), wk = 0.0030488 k( 79) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0030488 k( 80) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0030488 k( 81) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0030488 k( 82) = ( 0.4652778 0.2847222 0.7500000), wk = 0.0030488 k( 83) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0030488 k( 84) = ( 0.4513889 0.2986111 0.7500000), wk = 0.0030488 k( 85) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0030488 k( 86) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0030488 k( 87) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0030488 k( 88) = ( 0.4236111 0.3263889 0.7500000), wk = 0.0030488 k( 89) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0030488 k( 90) = ( 0.4097222 0.3402778 0.7500000), wk = 0.0030488 k( 91) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0030488 k( 92) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0030488 k( 93) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0030488 k( 94) = ( 0.3819444 0.3680556 0.7500000), wk = 0.0030488 k( 95) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030488 k( 96) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030488 k( 97) = ( 0.3677885 0.3677885 0.7355769), wk = 0.0030488 k( 98) = ( 0.3605769 0.3605769 0.7211538), wk = 0.0030488 k( 99) = ( 0.3533654 0.3533654 0.7067308), wk = 0.0030488 k( 100) = ( 0.3461538 0.3461538 0.6923077), wk = 0.0030488 k( 101) = ( 0.3389423 0.3389423 0.6778846), wk = 0.0030488 k( 102) = ( 0.3317308 0.3317308 0.6634615), wk = 0.0030488 k( 103) = ( 0.3245192 0.3245192 0.6490385), wk = 0.0030488 k( 104) = ( 0.3173077 0.3173077 0.6346154), wk = 0.0030488 k( 105) = ( 0.3100962 0.3100962 0.6201923), wk = 0.0030488 k( 106) = ( 0.3028846 0.3028846 0.6057692), wk = 0.0030488 k( 107) = ( 0.2956731 0.2956731 0.5913462), wk = 0.0030488 k( 108) = ( 0.2884615 0.2884615 0.5769231), wk = 0.0030488 k( 109) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0030488 k( 110) = ( 0.2740385 0.2740385 0.5480769), wk = 0.0030488 k( 111) = ( 0.2668269 0.2668269 0.5336538), wk = 0.0030488 k( 112) = ( 0.2596154 0.2596154 0.5192308), wk = 0.0030488 k( 113) = ( 0.2524038 0.2524038 0.5048077), wk = 0.0030488 k( 114) = ( 0.2451923 0.2451923 0.4903846), wk = 0.0030488 k( 115) = ( 0.2379808 0.2379808 0.4759615), wk = 0.0030488 k( 116) = ( 0.2307692 0.2307692 0.4615385), wk = 0.0030488 k( 117) = ( 0.2235577 0.2235577 0.4471154), wk = 0.0030488 k( 118) = ( 0.2163461 0.2163461 0.4326923), wk = 0.0030488 k( 119) = ( 0.2091346 0.2091346 0.4182692), wk = 0.0030488 k( 120) = ( 0.2019231 0.2019231 0.4038461), wk = 0.0030488 k( 121) = ( 0.1947115 0.1947115 0.3894231), wk = 0.0030488 k( 122) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0030488 k( 123) = ( 0.1802885 0.1802885 0.3605769), wk = 0.0030488 k( 124) = ( 0.1730769 0.1730769 0.3461538), wk = 0.0030488 k( 125) = ( 0.1658654 0.1658654 0.3317308), wk = 0.0030488 k( 126) = ( 0.1586539 0.1586539 0.3173077), wk = 0.0030488 k( 127) = ( 0.1514423 0.1514423 0.3028846), wk = 0.0030488 k( 128) = ( 0.1442308 0.1442308 0.2884615), wk = 0.0030488 k( 129) = ( 0.1370192 0.1370192 0.2740385), wk = 0.0030488 k( 130) = ( 0.1298077 0.1298077 0.2596154), wk = 0.0030488 k( 131) = ( 0.1225962 0.1225961 0.2451923), wk = 0.0030488 k( 132) = ( 0.1153846 0.1153846 0.2307692), wk = 0.0030488 k( 133) = ( 0.1081731 0.1081731 0.2163461), wk = 0.0030488 k( 134) = ( 0.1009615 0.1009615 0.2019231), wk = 0.0030488 k( 135) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0030488 k( 136) = ( 0.0865385 0.0865385 0.1730769), wk = 0.0030488 k( 137) = ( 0.0793269 0.0793269 0.1586538), wk = 0.0030488 k( 138) = ( 0.0721154 0.0721154 0.1442308), wk = 0.0030488 k( 139) = ( 0.0649038 0.0649038 0.1298077), wk = 0.0030488 k( 140) = ( 0.0576923 0.0576923 0.1153846), wk = 0.0030488 k( 141) = ( 0.0504808 0.0504808 0.1009615), wk = 0.0030488 k( 142) = ( 0.0432692 0.0432692 0.0865385), wk = 0.0030488 k( 143) = ( 0.0360577 0.0360577 0.0721154), wk = 0.0030488 k( 144) = ( 0.0288462 0.0288461 0.0576923), wk = 0.0030488 k( 145) = ( 0.0216346 0.0216346 0.0432692), wk = 0.0030488 k( 146) = ( 0.0144231 0.0144231 0.0288461), wk = 0.0030488 k( 147) = ( 0.0072115 0.0072115 0.0144231), wk = 0.0030488 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 150) = ( 0.0116279 0.0116279 0.0116279), wk = 0.0030488 k( 151) = ( 0.0232558 0.0232558 0.0232558), wk = 0.0030488 k( 152) = ( 0.0348837 0.0348837 0.0348837), wk = 0.0030488 k( 153) = ( 0.0465116 0.0465116 0.0465116), wk = 0.0030488 k( 154) = ( 0.0581395 0.0581395 0.0581395), wk = 0.0030488 k( 155) = ( 0.0697674 0.0697674 0.0697674), wk = 0.0030488 k( 156) = ( 0.0813954 0.0813953 0.0813954), wk = 0.0030488 k( 157) = ( 0.0930233 0.0930233 0.0930233), wk = 0.0030488 k( 158) = ( 0.1046512 0.1046512 0.1046512), wk = 0.0030488 k( 159) = ( 0.1162791 0.1162791 0.1162791), wk = 0.0030488 k( 160) = ( 0.1279070 0.1279070 0.1279070), wk = 0.0030488 k( 161) = ( 0.1395349 0.1395349 0.1395349), wk = 0.0030488 k( 162) = ( 0.1511628 0.1511628 0.1511628), wk = 0.0030488 k( 163) = ( 0.1627907 0.1627907 0.1627907), wk = 0.0030488 k( 164) = ( 0.1744186 0.1744186 0.1744186), wk = 0.0030488 k( 165) = ( 0.1860465 0.1860465 0.1860465), wk = 0.0030488 k( 166) = ( 0.1976744 0.1976744 0.1976744), wk = 0.0030488 k( 167) = ( 0.2093023 0.2093023 0.2093023), wk = 0.0030488 k( 168) = ( 0.2209302 0.2209302 0.2209302), wk = 0.0030488 k( 169) = ( 0.2325581 0.2325581 0.2325581), wk = 0.0030488 k( 170) = ( 0.2441860 0.2441860 0.2441860), wk = 0.0030488 k( 171) = ( 0.2558140 0.2558140 0.2558140), wk = 0.0030488 k( 172) = ( 0.2674419 0.2674419 0.2674419), wk = 0.0030488 k( 173) = ( 0.2790698 0.2790698 0.2790698), wk = 0.0030488 k( 174) = ( 0.2906977 0.2906977 0.2906977), wk = 0.0030488 k( 175) = ( 0.3023256 0.3023256 0.3023256), wk = 0.0030488 k( 176) = ( 0.3139535 0.3139535 0.3139535), wk = 0.0030488 k( 177) = ( 0.3255814 0.3255814 0.3255814), wk = 0.0030488 k( 178) = ( 0.3372093 0.3372093 0.3372093), wk = 0.0030488 k( 179) = ( 0.3488372 0.3488372 0.3488372), wk = 0.0030488 k( 180) = ( 0.3604651 0.3604651 0.3604651), wk = 0.0030488 k( 181) = ( 0.3720930 0.3720930 0.3720930), wk = 0.0030488 k( 182) = ( 0.3837209 0.3837209 0.3837209), wk = 0.0030488 k( 183) = ( 0.3953488 0.3953488 0.3953488), wk = 0.0030488 k( 184) = ( 0.4069767 0.4069767 0.4069767), wk = 0.0030488 k( 185) = ( 0.4186047 0.4186046 0.4186046), wk = 0.0030488 k( 186) = ( 0.4302326 0.4302326 0.4302326), wk = 0.0030488 k( 187) = ( 0.4418605 0.4418605 0.4418605), wk = 0.0030488 k( 188) = ( 0.4534884 0.4534884 0.4534884), wk = 0.0030488 k( 189) = ( 0.4651163 0.4651163 0.4651163), wk = 0.0030488 k( 190) = ( 0.4767442 0.4767442 0.4767442), wk = 0.0030488 k( 191) = ( 0.4883721 0.4883721 0.4883721), wk = 0.0030488 k( 192) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 193) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 194) = ( 0.5041667 0.4916667 0.5041667), wk = 0.0030488 k( 195) = ( 0.5083333 0.4833333 0.5083333), wk = 0.0030488 k( 196) = ( 0.5125000 0.4750000 0.5125000), wk = 0.0030488 k( 197) = ( 0.5166667 0.4666667 0.5166667), wk = 0.0030488 k( 198) = ( 0.5208333 0.4583333 0.5208333), wk = 0.0030488 k( 199) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0030488 k( 200) = ( 0.5291667 0.4416667 0.5291667), wk = 0.0030488 k( 201) = ( 0.5333333 0.4333333 0.5333333), wk = 0.0030488 k( 202) = ( 0.5375000 0.4250000 0.5375000), wk = 0.0030488 k( 203) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0030488 k( 204) = ( 0.5458333 0.4083333 0.5458333), wk = 0.0030488 k( 205) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0030488 k( 206) = ( 0.5541667 0.3916667 0.5541667), wk = 0.0030488 k( 207) = ( 0.5583333 0.3833333 0.5583333), wk = 0.0030488 k( 208) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0030488 k( 209) = ( 0.5666667 0.3666667 0.5666667), wk = 0.0030488 k( 210) = ( 0.5708333 0.3583333 0.5708333), wk = 0.0030488 k( 211) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0030488 k( 212) = ( 0.5791667 0.3416667 0.5791667), wk = 0.0030488 k( 213) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0030488 k( 214) = ( 0.5875000 0.3250000 0.5875000), wk = 0.0030488 k( 215) = ( 0.5916667 0.3166667 0.5916667), wk = 0.0030488 k( 216) = ( 0.5958333 0.3083333 0.5958333), wk = 0.0030488 k( 217) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0030488 k( 218) = ( 0.6041667 0.2916667 0.6041667), wk = 0.0030488 k( 219) = ( 0.6083333 0.2833333 0.6083333), wk = 0.0030488 k( 220) = ( 0.6125000 0.2750000 0.6125000), wk = 0.0030488 k( 221) = ( 0.6166667 0.2666667 0.6166667), wk = 0.0030488 k( 222) = ( 0.6208333 0.2583333 0.6208333), wk = 0.0030488 k( 223) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030488 k( 224) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030488 k( 225) = ( 0.6180556 0.2500000 0.6319444), wk = 0.0030488 k( 226) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0030488 k( 227) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0030488 k( 228) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0030488 k( 229) = ( 0.5902778 0.2500000 0.6597222), wk = 0.0030488 k( 230) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0030488 k( 231) = ( 0.5763889 0.2500000 0.6736111), wk = 0.0030488 k( 232) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0030488 k( 233) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0030488 k( 234) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0030488 k( 235) = ( 0.5486111 0.2500000 0.7013889), wk = 0.0030488 k( 236) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0030488 k( 237) = ( 0.5347222 0.2500000 0.7152778), wk = 0.0030488 k( 238) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0030488 k( 239) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0030488 k( 240) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0030488 k( 241) = ( 0.5069444 0.2500000 0.7430556), wk = 0.0030488 k( 242) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030488 k( 243) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030488 k( 244) = ( 0.5000000 0.2571429 0.7428571), wk = 0.0030488 k( 245) = ( 0.5000000 0.2642857 0.7357143), wk = 0.0030488 k( 246) = ( 0.5000000 0.2714286 0.7285714), wk = 0.0030488 k( 247) = ( 0.5000000 0.2785714 0.7214286), wk = 0.0030488 k( 248) = ( 0.5000000 0.2857143 0.7142857), wk = 0.0030488 k( 249) = ( 0.5000000 0.2928571 0.7071429), wk = 0.0030488 k( 250) = ( 0.5000000 0.3000000 0.7000000), wk = 0.0030488 k( 251) = ( 0.5000000 0.3071429 0.6928571), wk = 0.0030488 k( 252) = ( 0.5000000 0.3142857 0.6857143), wk = 0.0030488 k( 253) = ( 0.5000000 0.3214286 0.6785714), wk = 0.0030488 k( 254) = ( 0.5000000 0.3285714 0.6714286), wk = 0.0030488 k( 255) = ( 0.5000000 0.3357143 0.6642857), wk = 0.0030488 k( 256) = ( 0.5000000 0.3428571 0.6571429), wk = 0.0030488 k( 257) = ( 0.5000000 0.3500000 0.6500000), wk = 0.0030488 k( 258) = ( 0.5000000 0.3571429 0.6428571), wk = 0.0030488 k( 259) = ( 0.5000000 0.3642857 0.6357143), wk = 0.0030488 k( 260) = ( 0.5000000 0.3714286 0.6285714), wk = 0.0030488 k( 261) = ( 0.5000000 0.3785714 0.6214286), wk = 0.0030488 k( 262) = ( 0.5000000 0.3857143 0.6142857), wk = 0.0030488 k( 263) = ( 0.5000000 0.3928571 0.6071429), wk = 0.0030488 k( 264) = ( 0.5000000 0.4000000 0.6000000), wk = 0.0030488 k( 265) = ( 0.5000000 0.4071429 0.5928571), wk = 0.0030488 k( 266) = ( 0.5000000 0.4142857 0.5857143), wk = 0.0030488 k( 267) = ( 0.5000000 0.4214286 0.5785714), wk = 0.0030488 k( 268) = ( 0.5000000 0.4285714 0.5714286), wk = 0.0030488 k( 269) = ( 0.5000000 0.4357143 0.5642857), wk = 0.0030488 k( 270) = ( 0.5000000 0.4428571 0.5571429), wk = 0.0030488 k( 271) = ( 0.5000000 0.4500000 0.5500000), wk = 0.0030488 k( 272) = ( 0.5000000 0.4571429 0.5428571), wk = 0.0030488 k( 273) = ( 0.5000000 0.4642857 0.5357143), wk = 0.0030488 k( 274) = ( 0.5000000 0.4714286 0.5285714), wk = 0.0030488 k( 275) = ( 0.5000000 0.4785714 0.5214286), wk = 0.0030488 k( 276) = ( 0.5000000 0.4857143 0.5142857), wk = 0.0030488 k( 277) = ( 0.5000000 0.4928571 0.5071429), wk = 0.0030488 k( 278) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 279) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 280) = ( 0.4958333 0.4958333 0.5083333), wk = 0.0030488 k( 281) = ( 0.4916667 0.4916667 0.5166667), wk = 0.0030488 k( 282) = ( 0.4875000 0.4875000 0.5250000), wk = 0.0030488 k( 283) = ( 0.4833333 0.4833333 0.5333333), wk = 0.0030488 k( 284) = ( 0.4791667 0.4791667 0.5416667), wk = 0.0030488 k( 285) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0030488 k( 286) = ( 0.4708333 0.4708333 0.5583333), wk = 0.0030488 k( 287) = ( 0.4666667 0.4666667 0.5666667), wk = 0.0030488 k( 288) = ( 0.4625000 0.4625000 0.5750000), wk = 0.0030488 k( 289) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0030488 k( 290) = ( 0.4541667 0.4541667 0.5916667), wk = 0.0030488 k( 291) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0030488 k( 292) = ( 0.4458333 0.4458333 0.6083333), wk = 0.0030488 k( 293) = ( 0.4416667 0.4416667 0.6166667), wk = 0.0030488 k( 294) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0030488 k( 295) = ( 0.4333333 0.4333333 0.6333333), wk = 0.0030488 k( 296) = ( 0.4291667 0.4291667 0.6416667), wk = 0.0030488 k( 297) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0030488 k( 298) = ( 0.4208333 0.4208333 0.6583333), wk = 0.0030488 k( 299) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0030488 k( 300) = ( 0.4125000 0.4125000 0.6750000), wk = 0.0030488 k( 301) = ( 0.4083333 0.4083333 0.6833333), wk = 0.0030488 k( 302) = ( 0.4041667 0.4041667 0.6916667), wk = 0.0030488 k( 303) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0030488 k( 304) = ( 0.3958333 0.3958333 0.7083333), wk = 0.0030488 k( 305) = ( 0.3916667 0.3916667 0.7166667), wk = 0.0030488 k( 306) = ( 0.3875000 0.3875000 0.7250000), wk = 0.0030488 k( 307) = ( 0.3833333 0.3833333 0.7333333), wk = 0.0030488 k( 308) = ( 0.3791667 0.3791667 0.7416667), wk = 0.0030488 k( 309) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030488 k( 310) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030488 k( 311) = ( 0.6180556 0.2361111 0.6180556), wk = 0.0030488 k( 312) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0030488 k( 313) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0030488 k( 314) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0030488 k( 315) = ( 0.5902778 0.1805556 0.5902778), wk = 0.0030488 k( 316) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0030488 k( 317) = ( 0.5763889 0.1527778 0.5763889), wk = 0.0030488 k( 318) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0030488 k( 319) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0030488 k( 320) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0030488 k( 321) = ( 0.5486111 0.0972222 0.5486111), wk = 0.0030488 k( 322) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0030488 k( 323) = ( 0.5347222 0.0694444 0.5347222), wk = 0.0030488 k( 324) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0030488 k( 325) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0030488 k( 326) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0030488 k( 327) = ( 0.5069444 0.0138889 0.5069444), wk = 0.0030488 k( 328) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030488 Dense grid: 67097 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 64431 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.33 Mb ( 464, 46) NL pseudopotentials 0.34 Mb ( 232, 96) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1864) G-vector shells 0.00 Mb ( 486) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.30 Mb ( 464, 184) Each subspace H/S matrix 0.03 Mb ( 46, 46) Each matrix 0.13 Mb ( 96, 2, 46) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./LiMgSnAu.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 4.4 secs Computing kpt #: 3 total cpu time spent up to now is 5.1 secs Computing kpt #: 4 total cpu time spent up to now is 5.8 secs Computing kpt #: 5 total cpu time spent up to now is 6.5 secs Computing kpt #: 6 total cpu time spent up to now is 7.2 secs Computing kpt #: 7 total cpu time spent up to now is 7.9 secs Computing kpt #: 8 total cpu time spent up to now is 8.6 secs Computing kpt #: 9 total cpu time spent up to now is 9.4 secs Computing kpt #: 10 total cpu time spent up to now is 10.2 secs Computing kpt #: 11 total cpu time spent up to now is 11.1 secs Computing kpt #: 12 total cpu time spent up to now is 12.0 secs Computing kpt #: 13 total cpu time spent up to now is 12.9 secs Computing kpt #: 14 total cpu time spent up to now is 13.8 secs Computing kpt #: 15 total cpu time spent up to now is 14.7 secs Computing kpt #: 16 total cpu time spent up to now is 15.5 secs Computing kpt #: 17 total cpu time spent up to now is 16.4 secs Computing kpt #: 18 total cpu time spent up to now is 17.2 secs Computing kpt #: 19 total cpu time spent up to now is 18.0 secs Computing kpt #: 20 total cpu time spent up to now is 18.8 secs Computing kpt #: 21 total cpu time spent up to now is 19.6 secs Computing kpt #: 22 total cpu time spent up to now is 20.4 secs Computing kpt #: 23 total cpu time spent up to now is 21.2 secs Computing kpt #: 24 total cpu time spent up to now is 22.1 secs Computing kpt #: 25 total cpu time spent up to now is 23.0 secs Computing kpt #: 26 total cpu time spent up to now is 23.8 secs Computing kpt #: 27 total cpu time spent up to now is 24.6 secs Computing kpt #: 28 total cpu time spent up to now is 25.3 secs Computing kpt #: 29 total cpu time spent up to now is 26.2 secs Computing kpt #: 30 total cpu time spent up to now is 27.0 secs Computing kpt #: 31 total cpu time spent up to now is 27.8 secs Computing kpt #: 32 total cpu time spent up to now is 28.6 secs Computing kpt #: 33 total cpu time spent up to now is 29.4 secs Computing kpt #: 34 total cpu time spent up to now is 30.1 secs Computing kpt #: 35 total cpu time spent up to now is 30.8 secs Computing kpt #: 36 total cpu time spent up to now is 31.7 secs Computing kpt #: 37 total cpu time spent up to now is 32.4 secs Computing kpt #: 38 total cpu time spent up to now is 33.1 secs Computing kpt #: 39 total cpu time spent up to now is 33.9 secs Computing kpt #: 40 total cpu time spent up to now is 34.7 secs Computing kpt #: 41 total cpu time spent up to now is 35.5 secs Computing kpt #: 42 total cpu time spent up to now is 36.3 secs Computing kpt #: 43 total cpu time spent up to now is 37.0 secs Computing kpt #: 44 total cpu time spent up to now is 37.8 secs Computing kpt #: 45 total cpu time spent up to now is 38.6 secs Computing kpt #: 46 total cpu time spent up to now is 39.5 secs Computing kpt #: 47 total cpu time spent up to now is 40.4 secs Computing kpt #: 48 total cpu time spent up to now is 41.4 secs Computing kpt #: 49 total cpu time spent up to now is 42.3 secs Computing kpt #: 50 total cpu time spent up to now is 43.3 secs Computing kpt #: 51 total cpu time spent up to now is 44.2 secs Computing kpt #: 52 total cpu time spent up to now is 45.2 secs Computing kpt #: 53 total cpu time spent up to now is 46.1 secs Computing kpt #: 54 total cpu time spent up to now is 47.1 secs Computing kpt #: 55 total cpu time spent up to now is 48.0 secs Computing kpt #: 56 total cpu time spent up to now is 48.9 secs Computing kpt #: 57 total cpu time spent up to now is 49.7 secs Computing kpt #: 58 total cpu time spent up to now is 50.4 secs Computing kpt #: 59 total cpu time spent up to now is 51.1 secs Computing kpt #: 60 total cpu time spent up to now is 51.9 secs Computing kpt #: 61 total cpu time spent up to now is 52.6 secs Computing kpt #: 62 total cpu time spent up to now is 53.4 secs Computing kpt #: 63 total cpu time spent up to now is 54.0 secs Computing kpt #: 64 total cpu time spent up to now is 54.7 secs Computing kpt #: 65 total cpu time spent up to now is 55.4 secs Computing kpt #: 66 total cpu time spent up to now is 56.1 secs Computing kpt #: 67 total cpu time spent up to now is 56.8 secs Computing kpt #: 68 total cpu time spent up to now is 57.4 secs Computing kpt #: 69 total cpu time spent up to now is 58.1 secs Computing kpt #: 70 total cpu time spent up to now is 58.8 secs Computing kpt #: 71 total cpu time spent up to now is 59.5 secs Computing kpt #: 72 total cpu time spent up to now is 60.1 secs Computing kpt #: 73 total cpu time spent up to now is 60.8 secs Computing kpt #: 74 total cpu time spent up to now is 61.4 secs Computing kpt #: 75 total cpu time spent up to now is 62.1 secs Computing kpt #: 76 total cpu time spent up to now is 62.7 secs Computing kpt #: 77 total cpu time spent up to now is 63.4 secs Computing kpt #: 78 total cpu time spent up to now is 64.3 secs Computing kpt #: 79 total cpu time spent up to now is 65.4 secs Computing kpt #: 80 total cpu time spent up to now is 66.1 secs Computing kpt #: 81 total cpu time spent up to now is 66.7 secs Computing kpt #: 82 total cpu time spent up to now is 67.4 secs Computing kpt #: 83 total cpu time spent up to now is 68.1 secs Computing kpt #: 84 total cpu time spent up to now is 68.8 secs Computing kpt #: 85 total cpu time spent up to now is 69.5 secs Computing kpt #: 86 total cpu time spent up to now is 70.2 secs Computing kpt #: 87 total cpu time spent up to now is 70.9 secs Computing kpt #: 88 total cpu time spent up to now is 71.6 secs Computing kpt #: 89 total cpu time spent up to now is 72.3 secs Computing kpt #: 90 total cpu time spent up to now is 73.0 secs Computing kpt #: 91 total cpu time spent up to now is 73.7 secs Computing kpt #: 92 total cpu time spent up to now is 74.4 secs Computing kpt #: 93 total cpu time spent up to now is 75.2 secs Computing kpt #: 94 total cpu time spent up to now is 75.9 secs Computing kpt #: 95 total cpu time spent up to now is 76.6 secs Computing kpt #: 96 total cpu time spent up to now is 77.3 secs Computing kpt #: 97 total cpu time spent up to now is 78.1 secs Computing kpt #: 98 total cpu time spent up to now is 78.8 secs Computing kpt #: 99 total cpu time spent up to now is 79.5 secs Computing kpt #: 100 total cpu time spent up to now is 80.2 secs Computing kpt #: 101 total cpu time spent up to now is 80.9 secs Computing kpt #: 102 total cpu time spent up to now is 81.6 secs Computing kpt #: 103 total cpu time spent up to now is 82.3 secs Computing kpt #: 104 total cpu time spent up to now is 83.1 secs Computing kpt #: 105 total cpu time spent up to now is 83.9 secs Computing kpt #: 106 total cpu time spent up to now is 84.7 secs Computing kpt #: 107 total cpu time spent up to now is 85.4 secs Computing kpt #: 108 total cpu time spent up to now is 86.2 secs Computing kpt #: 109 total cpu time spent up to now is 87.0 secs Computing kpt #: 110 total cpu time spent up to now is 87.7 secs Computing kpt #: 111 total cpu time spent up to now is 88.4 secs Computing kpt #: 112 total cpu time spent up to now is 89.1 secs Computing kpt #: 113 total cpu time spent up to now is 89.9 secs Computing kpt #: 114 total cpu time spent up to now is 90.6 secs Computing kpt #: 115 total cpu time spent up to now is 91.3 secs Computing kpt #: 116 total cpu time spent up to now is 92.0 secs Computing kpt #: 117 total cpu time spent up to now is 92.8 secs Computing kpt #: 118 total cpu time spent up to now is 93.5 secs Computing kpt #: 119 total cpu time spent up to now is 94.2 secs Computing kpt #: 120 total cpu time spent up to now is 95.0 secs Computing kpt #: 121 total cpu time spent up to now is 95.8 secs Computing kpt #: 122 total cpu time spent up to now is 96.6 secs Computing kpt #: 123 total cpu time spent up to now is 97.4 secs Computing kpt #: 124 total cpu time spent up to now is 98.2 secs Computing kpt #: 125 total cpu time spent up to now is 99.0 secs Computing kpt #: 126 total cpu time spent up to now is 99.8 secs Computing kpt #: 127 total cpu time spent up to now is 100.6 secs Computing kpt #: 128 total cpu time spent up to now is 101.4 secs Computing kpt #: 129 total cpu time spent up to now is 102.2 secs Computing kpt #: 130 total cpu time spent up to now is 103.0 secs Computing kpt #: 131 total cpu time spent up to now is 103.8 secs Computing kpt #: 132 total cpu time spent up to now is 104.5 secs Computing kpt #: 133 total cpu time spent up to now is 105.2 secs Computing kpt #: 134 total cpu time spent up to now is 105.9 secs Computing kpt #: 135 total cpu time spent up to now is 106.7 secs Computing kpt #: 136 total cpu time spent up to now is 107.3 secs Computing kpt #: 137 total cpu time spent up to now is 108.1 secs Computing kpt #: 138 total cpu time spent up to now is 108.8 secs Computing kpt #: 139 total cpu time spent up to now is 109.5 secs Computing kpt #: 140 total cpu time spent up to now is 110.2 secs Computing kpt #: 141 total cpu time spent up to now is 110.9 secs Computing kpt #: 142 total cpu time spent up to now is 111.6 secs Computing kpt #: 143 total cpu time spent up to now is 112.3 secs Computing kpt #: 144 total cpu time spent up to now is 113.0 secs Computing kpt #: 145 total cpu time spent up to now is 113.7 secs Computing kpt #: 146 total cpu time spent up to now is 114.3 secs Computing kpt #: 147 total cpu time spent up to now is 115.1 secs Computing kpt #: 148 total cpu time spent up to now is 115.7 secs Computing kpt #: 149 total cpu time spent up to now is 116.5 secs Computing kpt #: 150 total cpu time spent up to now is 117.2 secs Computing kpt #: 151 total cpu time spent up to now is 117.8 secs Computing kpt #: 152 total cpu time spent up to now is 118.5 secs Computing kpt #: 153 total cpu time spent up to now is 119.2 secs Computing kpt #: 154 total cpu time spent up to now is 119.9 secs Computing kpt #: 155 total cpu time spent up to now is 120.6 secs Computing kpt #: 156 total cpu time spent up to now is 121.3 secs Computing kpt #: 157 total cpu time spent up to now is 122.0 secs Computing kpt #: 158 total cpu time spent up to now is 122.8 secs Computing kpt #: 159 total cpu time spent up to now is 123.5 secs Computing kpt #: 160 total cpu time spent up to now is 124.2 secs Computing kpt #: 161 total cpu time spent up to now is 124.9 secs Computing kpt #: 162 total cpu time spent up to now is 125.7 secs Computing kpt #: 163 total cpu time spent up to now is 126.5 secs Computing kpt #: 164 total cpu time spent up to now is 127.2 secs Computing kpt #: 165 total cpu time spent up to now is 127.9 secs Computing kpt #: 166 total cpu time spent up to now is 128.6 secs Computing kpt #: 167 total cpu time spent up to now is 129.3 secs Computing kpt #: 168 total cpu time spent up to now is 129.9 secs Computing kpt #: 169 total cpu time spent up to now is 130.6 secs Computing kpt #: 170 total cpu time spent up to now is 131.3 secs Computing kpt #: 171 total cpu time spent up to now is 132.0 secs Computing kpt #: 172 total cpu time spent up to now is 132.6 secs Computing kpt #: 173 total cpu time spent up to now is 133.4 secs Computing kpt #: 174 total cpu time spent up to now is 134.1 secs Computing kpt #: 175 total cpu time spent up to now is 134.9 secs Computing kpt #: 176 total cpu time spent up to now is 135.6 secs Computing kpt #: 177 total cpu time spent up to now is 136.2 secs Computing kpt #: 178 total cpu time spent up to now is 136.9 secs Computing kpt #: 179 total cpu time spent up to now is 137.6 secs Computing kpt #: 180 total cpu time spent up to now is 138.3 secs Computing kpt #: 181 total cpu time spent up to now is 138.9 secs Computing kpt #: 182 total cpu time spent up to now is 139.6 secs Computing kpt #: 183 total cpu time spent up to now is 140.3 secs Computing kpt #: 184 total cpu time spent up to now is 140.9 secs Computing kpt #: 185 total cpu time spent up to now is 141.7 secs Computing kpt #: 186 total cpu time spent up to now is 142.3 secs Computing kpt #: 187 total cpu time spent up to now is 143.0 secs Computing kpt #: 188 total cpu time spent up to now is 143.6 secs Computing kpt #: 189 total cpu time spent up to now is 144.3 secs Computing kpt #: 190 total cpu time spent up to now is 144.9 secs Computing kpt #: 191 total cpu time spent up to now is 145.6 secs Computing kpt #: 192 total cpu time spent up to now is 146.2 secs Computing kpt #: 193 total cpu time spent up to now is 146.9 secs Computing kpt #: 194 total cpu time spent up to now is 147.5 secs Computing kpt #: 195 total cpu time spent up to now is 148.2 secs Computing kpt #: 196 total cpu time spent up to now is 148.9 secs Computing kpt #: 197 total cpu time spent up to now is 149.5 secs Computing kpt #: 198 total cpu time spent up to now is 150.2 secs Computing kpt #: 199 total cpu time spent up to now is 150.9 secs Computing kpt #: 200 total cpu time spent up to now is 151.5 secs Computing kpt #: 201 total cpu time spent up to now is 152.2 secs Computing kpt #: 202 total cpu time spent up to now is 152.9 secs Computing kpt #: 203 total cpu time spent up to now is 153.6 secs Computing kpt #: 204 total cpu time spent up to now is 154.3 secs Computing kpt #: 205 total cpu time spent up to now is 155.1 secs Computing kpt #: 206 total cpu time spent up to now is 155.8 secs Computing kpt #: 207 total cpu time spent up to now is 156.5 secs Computing kpt #: 208 total cpu time spent up to now is 157.2 secs Computing kpt #: 209 total cpu time spent up to now is 157.9 secs Computing kpt #: 210 total cpu time spent up to now is 158.7 secs Computing kpt #: 211 total cpu time spent up to now is 159.4 secs Computing kpt #: 212 total cpu time spent up to now is 160.0 secs Computing kpt #: 213 total cpu time spent up to now is 160.7 secs Computing kpt #: 214 total cpu time spent up to now is 161.5 secs Computing kpt #: 215 total cpu time spent up to now is 162.2 secs Computing kpt #: 216 total cpu time spent up to now is 163.0 secs Computing kpt #: 217 total cpu time spent up to now is 163.7 secs Computing kpt #: 218 total cpu time spent up to now is 164.4 secs Computing kpt #: 219 total cpu time spent up to now is 165.1 secs Computing kpt #: 220 total cpu time spent up to now is 165.8 secs Computing kpt #: 221 total cpu time spent up to now is 166.5 secs Computing kpt #: 222 total cpu time spent up to now is 167.2 secs Computing kpt #: 223 total cpu time spent up to now is 167.9 secs Computing kpt #: 224 total cpu time spent up to now is 168.6 secs Computing kpt #: 225 total cpu time spent up to now is 169.3 secs Computing kpt #: 226 total cpu time spent up to now is 170.0 secs Computing kpt #: 227 total cpu time spent up to now is 170.7 secs Computing kpt #: 228 total cpu time spent up to now is 171.4 secs Computing kpt #: 229 total cpu time spent up to now is 172.1 secs Computing kpt #: 230 total cpu time spent up to now is 172.8 secs Computing kpt #: 231 total cpu time spent up to now is 173.5 secs Computing kpt #: 232 total cpu time spent up to now is 174.2 secs Computing kpt #: 233 total cpu time spent up to now is 174.9 secs Computing kpt #: 234 total cpu time spent up to now is 175.5 secs Computing kpt #: 235 total cpu time spent up to now is 176.2 secs Computing kpt #: 236 total cpu time spent up to now is 176.9 secs Computing kpt #: 237 total cpu time spent up to now is 177.6 secs Computing kpt #: 238 total cpu time spent up to now is 178.3 secs Computing kpt #: 239 total cpu time spent up to now is 179.0 secs Computing kpt #: 240 total cpu time spent up to now is 179.6 secs Computing kpt #: 241 total cpu time spent up to now is 180.3 secs Computing kpt #: 242 total cpu time spent up to now is 180.9 secs Computing kpt #: 243 total cpu time spent up to now is 181.6 secs Computing kpt #: 244 total cpu time spent up to now is 182.3 secs Computing kpt #: 245 total cpu time spent up to now is 183.0 secs Computing kpt #: 246 total cpu time spent up to now is 183.7 secs Computing kpt #: 247 total cpu time spent up to now is 184.3 secs Computing kpt #: 248 total cpu time spent up to now is 184.9 secs Computing kpt #: 249 total cpu time spent up to now is 185.6 secs Computing kpt #: 250 total cpu time spent up to now is 186.3 secs Computing kpt #: 251 total cpu time spent up to now is 187.1 secs Computing kpt #: 252 total cpu time spent up to now is 187.8 secs Computing kpt #: 253 total cpu time spent up to now is 188.5 secs Computing kpt #: 254 total cpu time spent up to now is 189.1 secs Computing kpt #: 255 total cpu time spent up to now is 189.8 secs Computing kpt #: 256 total cpu time spent up to now is 190.5 secs Computing kpt #: 257 total cpu time spent up to now is 191.3 secs Computing kpt #: 258 total cpu time spent up to now is 192.0 secs Computing kpt #: 259 total cpu time spent up to now is 192.7 secs Computing kpt #: 260 total cpu time spent up to now is 193.5 secs Computing kpt #: 261 total cpu time spent up to now is 194.2 secs Computing kpt #: 262 total cpu time spent up to now is 194.9 secs Computing kpt #: 263 total cpu time spent up to now is 195.6 secs Computing kpt #: 264 total cpu time spent up to now is 196.3 secs Computing kpt #: 265 total cpu time spent up to now is 197.0 secs Computing kpt #: 266 total cpu time spent up to now is 197.7 secs Computing kpt #: 267 total cpu time spent up to now is 198.4 secs Computing kpt #: 268 total cpu time spent up to now is 199.1 secs Computing kpt #: 269 total cpu time spent up to now is 199.8 secs Computing kpt #: 270 total cpu time spent up to now is 200.5 secs Computing kpt #: 271 total cpu time spent up to now is 201.1 secs Computing kpt #: 272 total cpu time spent up to now is 201.8 secs Computing kpt #: 273 total cpu time spent up to now is 202.5 secs Computing kpt #: 274 total cpu time spent up to now is 203.2 secs Computing kpt #: 275 total cpu time spent up to now is 203.9 secs Computing kpt #: 276 total cpu time spent up to now is 204.5 secs Computing kpt #: 277 total cpu time spent up to now is 205.2 secs Computing kpt #: 278 total cpu time spent up to now is 205.8 secs Computing kpt #: 279 total cpu time spent up to now is 206.4 secs Computing kpt #: 280 total cpu time spent up to now is 207.1 secs Computing kpt #: 281 total cpu time spent up to now is 207.8 secs Computing kpt #: 282 total cpu time spent up to now is 208.4 secs Computing kpt #: 283 total cpu time spent up to now is 209.1 secs Computing kpt #: 284 total cpu time spent up to now is 209.8 secs Computing kpt #: 285 total cpu time spent up to now is 210.5 secs Computing kpt #: 286 total cpu time spent up to now is 211.1 secs Computing kpt #: 287 total cpu time spent up to now is 211.8 secs Computing kpt #: 288 total cpu time spent up to now is 212.5 secs Computing kpt #: 289 total cpu time spent up to now is 213.2 secs Computing kpt #: 290 total cpu time spent up to now is 213.9 secs Computing kpt #: 291 total cpu time spent up to now is 214.6 secs Computing kpt #: 292 total cpu time spent up to now is 215.3 secs Computing kpt #: 293 total cpu time spent up to now is 216.0 secs Computing kpt #: 294 total cpu time spent up to now is 216.7 secs Computing kpt #: 295 total cpu time spent up to now is 217.5 secs Computing kpt #: 296 total cpu time spent up to now is 218.2 secs Computing kpt #: 297 total cpu time spent up to now is 218.9 secs Computing kpt #: 298 total cpu time spent up to now is 219.6 secs Computing kpt #: 299 total cpu time spent up to now is 220.3 secs Computing kpt #: 300 total cpu time spent up to now is 221.0 secs Computing kpt #: 301 total cpu time spent up to now is 221.7 secs Computing kpt #: 302 total cpu time spent up to now is 222.4 secs Computing kpt #: 303 total cpu time spent up to now is 223.1 secs Computing kpt #: 304 total cpu time spent up to now is 223.8 secs Computing kpt #: 305 total cpu time spent up to now is 224.5 secs Computing kpt #: 306 total cpu time spent up to now is 225.3 secs Computing kpt #: 307 total cpu time spent up to now is 226.0 secs Computing kpt #: 308 total cpu time spent up to now is 226.8 secs Computing kpt #: 309 total cpu time spent up to now is 227.5 secs Computing kpt #: 310 total cpu time spent up to now is 228.3 secs Computing kpt #: 311 total cpu time spent up to now is 229.0 secs Computing kpt #: 312 total cpu time spent up to now is 229.8 secs Computing kpt #: 313 total cpu time spent up to now is 230.6 secs Computing kpt #: 314 total cpu time spent up to now is 231.3 secs Computing kpt #: 315 total cpu time spent up to now is 232.0 secs Computing kpt #: 316 total cpu time spent up to now is 232.8 secs Computing kpt #: 317 total cpu time spent up to now is 233.5 secs Computing kpt #: 318 total cpu time spent up to now is 234.3 secs Computing kpt #: 319 total cpu time spent up to now is 235.2 secs Computing kpt #: 320 total cpu time spent up to now is 236.1 secs Computing kpt #: 321 total cpu time spent up to now is 236.9 secs Computing kpt #: 322 total cpu time spent up to now is 237.8 secs Computing kpt #: 323 total cpu time spent up to now is 238.7 secs Computing kpt #: 324 total cpu time spent up to now is 239.7 secs Computing kpt #: 325 total cpu time spent up to now is 240.6 secs Computing kpt #: 326 total cpu time spent up to now is 241.5 secs Computing kpt #: 327 total cpu time spent up to now is 242.5 secs Computing kpt #: 328 total cpu time spent up to now is 243.4 secs ethr = 2.63E-08, avg # of iterations = 17.8 total cpu time spent up to now is 243.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7991 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4094 -10.4094 -10.4094 -10.4094 -9.3925 -9.3925 -9.3732 -9.3732 -9.3732 -9.3732 1.0702 1.0702 5.1440 5.1440 5.1440 5.1440 6.1250 6.1250 6.7828 6.7828 6.7828 6.7828 12.1735 12.1735 12.7930 12.7930 13.2972 13.2972 13.4226 13.4226 13.4226 13.4226 13.7289 13.7289 13.7289 13.7289 k = 0.0102-0.0059 0.0083 ( 7991 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4095 -10.4095 -10.4094 -10.4094 -9.3925 -9.3925 -9.3733 -9.3733 -9.3732 -9.3732 1.0715 1.0715 5.1421 5.1421 5.1459 5.1459 6.1249 6.1249 6.7795 6.7795 6.7856 6.7856 12.1637 12.1637 12.7755 12.7755 13.2578 13.2578 13.4014 13.4014 13.4420 13.4420 13.7528 13.7528 13.7705 13.7705 k = 0.0204-0.0118 0.0167 ( 7987 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4095 -10.4095 -10.4093 -10.4093 -9.3925 -9.3925 -9.3734 -9.3734 -9.3731 -9.3731 1.0757 1.0757 5.1401 5.1401 5.1479 5.1479 6.1247 6.1247 6.7758 6.7758 6.7880 6.7880 12.1353 12.1353 12.7258 12.7258 13.1676 13.1676 13.3644 13.3644 13.4798 13.4798 13.8168 13.8168 13.8647 13.8647 k = 0.0306-0.0177 0.0250 ( 7979 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4096 -10.4096 -10.4092 -10.4092 -9.3925 -9.3925 -9.3734 -9.3734 -9.3730 -9.3730 1.0826 1.0826 5.1380 5.1380 5.1500 5.1500 6.1243 6.1243 6.7715 6.7715 6.7899 6.7899 12.0901 12.0901 12.6505 12.6505 13.0545 13.0545 13.3318 13.3318 13.5265 13.5265 13.9062 13.9062 13.9789 13.9789 k = 0.0408-0.0236 0.0333 ( 7975 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4096 -10.4096 -10.4092 -10.4092 -9.3924 -9.3924 -9.3735 -9.3735 -9.3729 -9.3729 1.0923 1.0923 5.1356 5.1356 5.1523 5.1523 6.1237 6.1237 6.7667 6.7667 6.7915 6.7915 12.0308 12.0308 12.5573 12.5573 12.9310 12.9310 13.3045 13.3045 13.5808 13.5808 14.0099 14.0099 14.1005 14.1005 k = 0.0510-0.0295 0.0417 ( 7967 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4096 -10.4096 -10.4091 -10.4091 -9.3924 -9.3924 -9.3735 -9.3735 -9.3728 -9.3728 1.1047 1.1047 5.1330 5.1330 5.1549 5.1549 6.1231 6.1231 6.7614 6.7614 6.7928 6.7928 11.9596 11.9596 12.4527 12.4527 12.8027 12.8027 13.2802 13.2802 13.6407 13.6407 14.1212 14.1212 14.2250 14.2250 k = 0.0612-0.0353 0.0500 ( 7967 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4097 -10.4097 -10.4090 -10.4090 -9.3923 -9.3923 -9.3736 -9.3736 -9.3727 -9.3727 1.1199 1.1199 5.1300 5.1300 5.1577 5.1577 6.1223 6.1223 6.7557 6.7557 6.7938 6.7938 11.8788 11.8788 12.3411 12.3411 12.6720 12.6720 13.2567 13.2567 13.7032 13.7032 14.2362 14.2362 14.3504 14.3504 k = 0.0714-0.0412 0.0583 ( 7967 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4097 -10.4097 -10.4089 -10.4089 -9.3922 -9.3922 -9.3736 -9.3736 -9.3726 -9.3726 1.1378 1.1378 5.1266 5.1266 5.1609 5.1609 6.1215 6.1215 6.7495 6.7495 6.7947 6.7947 11.7898 11.7898 12.2256 12.2256 12.5401 12.5401 13.2327 13.2327 13.7645 13.7645 14.3521 14.3521 14.4756 14.4756 k = 0.0816-0.0471 0.0667 ( 7983 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4097 -10.4097 -10.4089 -10.4089 -9.3921 -9.3921 -9.3737 -9.3737 -9.3725 -9.3725 1.1584 1.1584 5.1228 5.1228 5.1644 5.1644 6.1207 6.1207 6.7428 6.7428 6.7953 6.7953 11.6938 11.6938 12.1082 12.1082 12.4078 12.4078 13.2076 13.2076 13.8201 13.8201 14.4671 14.4671 14.6000 14.6000 k = 0.0918-0.0530 0.0750 ( 7975 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4097 -10.4097 -10.4088 -10.4088 -9.3920 -9.3920 -9.3737 -9.3737 -9.3724 -9.3724 1.1817 1.1817 5.1186 5.1186 5.1682 5.1682 6.1198 6.1198 6.7358 6.7358 6.7959 6.7959 11.5916 11.5916 11.9900 11.9900 12.2756 12.2756 13.1809 13.1809 13.8650 13.8650 14.5795 14.5795 14.7231 14.7231 k = 0.1020-0.0589 0.0833 ( 7995 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4097 -10.4097 -10.4087 -10.4087 -9.3919 -9.3919 -9.3737 -9.3737 -9.3723 -9.3723 1.2077 1.2077 5.1139 5.1139 5.1724 5.1724 6.1191 6.1191 6.7284 6.7284 6.7964 6.7964 11.4840 11.4840 11.8718 11.8718 12.1438 12.1438 13.1521 13.1521 13.8941 13.8941 14.6878 14.6878 14.8445 14.8445 k = 0.1122-0.0648 0.0916 ( 8011 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4098 -10.4098 -10.4086 -10.4086 -9.3918 -9.3918 -9.3737 -9.3737 -9.3722 -9.3722 1.2364 1.2364 5.1086 5.1086 5.1770 5.1770 6.1184 6.1184 6.7207 6.7207 6.7969 6.7969 11.3716 11.3716 11.7540 11.7540 12.0126 12.0126 13.1212 13.1212 13.9031 13.9031 14.7905 14.7905 14.9640 14.9640 k = 0.1224-0.0707 0.1000 ( 8015 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4098 -10.4098 -10.4085 -10.4085 -9.3917 -9.3917 -9.3738 -9.3738 -9.3721 -9.3721 1.2677 1.2677 5.1029 5.1029 5.1820 5.1820 6.1178 6.1178 6.7128 6.7128 6.7975 6.7975 11.2547 11.2547 11.6366 11.6366 11.8823 11.8823 13.0878 13.0878 13.8905 13.8905 14.8867 14.8867 15.0814 15.0814 k = 0.1327-0.0766 0.1083 ( 8023 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4098 -10.4098 -10.4084 -10.4084 -9.3916 -9.3916 -9.3738 -9.3738 -9.3719 -9.3719 1.3016 1.3016 5.0966 5.0966 5.1873 5.1873 6.1175 6.1175 6.7048 6.7048 6.7982 6.7982 11.1340 11.1340 11.5196 11.5196 11.7530 11.7530 13.0519 13.0519 13.8580 13.8580 14.9776 14.9776 15.1967 15.1967 k = 0.1429-0.0825 0.1166 ( 8020 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4098 -10.4098 -10.4083 -10.4083 -9.3915 -9.3915 -9.3738 -9.3738 -9.3718 -9.3718 1.3382 1.3382 5.0898 5.0898 5.1930 5.1930 6.1173 6.1173 6.6967 6.6967 6.7992 6.7992 11.0099 11.0099 11.4027 11.4027 11.6248 11.6248 13.0133 13.0133 13.8103 13.8103 15.0660 15.0660 15.3099 15.3099 k = 0.1531-0.0884 0.1250 ( 8012 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4098 -10.4098 -10.4083 -10.4083 -9.3913 -9.3913 -9.3738 -9.3738 -9.3717 -9.3717 1.3773 1.3773 5.0824 5.0824 5.1991 5.1991 6.1175 6.1175 6.6886 6.6886 6.8003 6.8003 10.8827 10.8827 11.2859 11.2859 11.4979 11.4979 12.9719 12.9719 13.7529 13.7529 15.1550 15.1550 15.4212 15.4212 k = 0.1633-0.0943 0.1333 ( 8020 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4097 -10.4097 -10.4082 -10.4082 -9.3912 -9.3912 -9.3738 -9.3738 -9.3716 -9.3716 1.4189 1.4189 5.0745 5.0745 5.2055 5.2055 6.1179 6.1179 6.6806 6.6806 6.8017 6.8017 10.7528 10.7528 11.1690 11.1690 11.3723 11.3723 12.9278 12.9278 13.6909 13.6909 15.2463 15.2463 15.5309 15.5309 k = 0.1735-0.1002 0.1416 ( 8024 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4097 -10.4097 -10.4081 -10.4081 -9.3910 -9.3910 -9.3738 -9.3738 -9.3715 -9.3715 1.4629 1.4629 5.0660 5.0660 5.2122 5.2122 6.1187 6.1187 6.6728 6.6728 6.8034 6.8034 10.6205 10.6205 11.0521 11.0521 11.2482 11.2482 12.8810 12.8810 13.6282 13.6282 15.3402 15.3402 15.6395 15.6395 k = 0.1837-0.1060 0.1500 ( 8024 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4097 -10.4097 -10.4080 -10.4080 -9.3909 -9.3909 -9.3737 -9.3737 -9.3713 -9.3713 1.5094 1.5094 5.0570 5.0570 5.2193 5.2193 6.1198 6.1198 6.6652 6.6652 6.8055 6.8055 10.4858 10.4858 10.9353 10.9353 11.1257 11.1257 12.8319 12.8319 13.5674 13.5674 15.4367 15.4367 15.7473 15.7473 k = 0.1939-0.1119 0.1583 ( 8020 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4097 -10.4097 -10.4079 -10.4079 -9.3907 -9.3907 -9.3737 -9.3737 -9.3712 -9.3712 1.5583 1.5583 5.0475 5.0475 5.2267 5.2267 6.1213 6.1213 6.6580 6.6580 6.8080 6.8080 10.3490 10.3490 10.8186 10.8186 11.0049 11.0049 12.7810 12.7810 13.5103 13.5103 15.5354 15.5354 15.8549 15.8549 k = 0.2041-0.1178 0.1666 ( 8020 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4097 -10.4097 -10.4078 -10.4078 -9.3906 -9.3906 -9.3737 -9.3737 -9.3711 -9.3711 1.6095 1.6095 5.0376 5.0376 5.2344 5.2344 6.1232 6.1232 6.6513 6.6513 6.8109 6.8109 10.2102 10.2102 10.7026 10.7026 10.8858 10.8858 12.7289 12.7289 13.4576 13.4576 15.6361 15.6361 15.9624 15.9624 k = 0.2143-0.1237 0.1750 ( 8036 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4096 -10.4096 -10.4077 -10.4077 -9.3904 -9.3904 -9.3737 -9.3737 -9.3709 -9.3709 1.6630 1.6630 5.0273 5.0273 5.2423 5.2423 6.1254 6.1254 6.6450 6.6450 6.8143 6.8143 10.0695 10.0695 10.5873 10.5873 10.7685 10.7685 12.6764 12.6764 13.4095 13.4095 15.7387 15.7387 16.0705 16.0705 k = 0.2245-0.1296 0.1833 ( 8036 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2937 -31.2937 -10.4096 -10.4096 -10.4077 -10.4077 -9.3903 -9.3903 -9.3737 -9.3737 -9.3708 -9.3708 1.7186 1.7186 5.0166 5.0166 5.2505 5.2505 6.1279 6.1279 6.6395 6.6395 6.8182 6.8182 9.9270 9.9270 10.4732 10.4732 10.6532 10.6532 12.6240 12.6240 13.3660 13.3660 15.8430 15.8430 16.1793 16.1793 k = 0.2347-0.1355 0.1916 ( 8056 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2937 -31.2937 -10.4096 -10.4096 -10.4076 -10.4076 -9.3901 -9.3901 -9.3737 -9.3737 -9.3707 -9.3707 1.7763 1.7763 5.0056 5.0056 5.2590 5.2590 6.1306 6.1306 6.6346 6.6346 6.8226 6.8226 9.7830 9.7830 10.3607 10.3607 10.5400 10.5400 12.5725 12.5725 13.3268 13.3268 15.9490 15.9490 16.2893 16.2893 k = 0.2449-0.1414 0.2000 ( 8044 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2937 -31.2937 -10.4095 -10.4095 -10.4075 -10.4075 -9.3900 -9.3900 -9.3736 -9.3736 -9.3705 -9.3705 1.8360 1.8360 4.9943 4.9943 5.2677 5.2677 6.1336 6.1336 6.6306 6.6306 6.8275 6.8275 9.6378 9.6378 10.2500 10.2500 10.4289 10.4289 12.5223 12.5223 13.2914 13.2914 16.0569 16.0569 16.4006 16.4006 k = 0.2551-0.1473 0.2083 ( 8044 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2937 -31.2937 -10.4095 -10.4095 -10.4074 -10.4074 -9.3898 -9.3898 -9.3736 -9.3736 -9.3704 -9.3704 1.8976 1.8976 4.9829 4.9829 5.2766 5.2766 6.1367 6.1367 6.6274 6.6274 6.8330 6.8330 9.4916 9.4916 10.1414 10.1414 10.3200 10.3200 12.4740 12.4740 13.2595 13.2595 16.1665 16.1665 16.5135 16.5135 k = 0.2653-0.1532 0.2166 ( 8044 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2937 -31.2937 -10.4094 -10.4094 -10.4074 -10.4074 -9.3897 -9.3897 -9.3736 -9.3736 -9.3702 -9.3702 1.9609 1.9609 4.9713 4.9713 5.2857 5.2857 6.1398 6.1398 6.6251 6.6251 6.8391 6.8391 9.3449 9.3449 10.0352 10.0352 10.2135 10.2135 12.4278 12.4278 13.2306 13.2306 16.2781 16.2781 16.6282 16.6282 k = 0.2755-0.1591 0.2250 ( 8036 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2937 -31.2937 -10.4094 -10.4094 -10.4073 -10.4073 -9.3895 -9.3895 -9.3736 -9.3736 -9.3701 -9.3701 2.0259 2.0259 4.9598 4.9598 5.2950 5.2950 6.1428 6.1428 6.6239 6.6239 6.8458 6.8458 9.1982 9.1982 9.9316 9.9316 10.1093 10.1093 12.3839 12.3839 13.2043 13.2043 16.3917 16.3917 16.7447 16.7447 k = 0.2857-0.1650 0.2333 ( 8028 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2937 -31.2937 -10.4094 -10.4094 -10.4073 -10.4073 -9.3894 -9.3894 -9.3736 -9.3736 -9.3700 -9.3700 2.0924 2.0924 4.9483 4.9483 5.3045 5.3045 6.1455 6.1455 6.6236 6.6236 6.8532 6.8532 9.0518 9.0518 9.8308 9.8308 10.0078 10.0078 12.3425 12.3425 13.1805 13.1805 16.5072 16.5072 16.8634 16.8634 k = 0.2959-0.1708 0.2416 ( 8048 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2937 -31.2937 -10.4093 -10.4093 -10.4072 -10.4072 -9.3892 -9.3892 -9.3736 -9.3736 -9.3698 -9.3698 2.1602 2.1602 4.9370 4.9370 5.3142 5.3142 6.1478 6.1478 6.6245 6.6245 6.8612 6.8612 8.9063 8.9063 9.7330 9.7330 9.9088 9.9088 12.3036 12.3036 13.1587 13.1587 16.6248 16.6248 16.9841 16.9841 k = 0.3061-0.1767 0.2499 ( 8056 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2937 -31.2937 -10.4093 -10.4093 -10.4072 -10.4072 -9.3891 -9.3891 -9.3736 -9.3736 -9.3697 -9.3697 2.2291 2.2291 4.9260 4.9260 5.3240 5.3240 6.1494 6.1494 6.6263 6.6263 6.8698 6.8698 8.7622 8.7622 9.6383 9.6383 9.8126 9.8126 12.2672 12.2672 13.1388 13.1388 16.7445 16.7445 17.1070 17.1070 k = 0.3163-0.1826 0.2583 ( 8072 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2938 -31.2938 -10.4092 -10.4092 -10.4071 -10.4071 -9.3890 -9.3890 -9.3736 -9.3736 -9.3695 -9.3695 2.2989 2.2989 4.9153 4.9153 5.3341 5.3341 6.1503 6.1503 6.6292 6.6292 6.8792 6.8792 8.6203 8.6203 9.5468 9.5468 9.7192 9.7192 12.2332 12.2332 13.1206 13.1206 16.8663 16.8663 17.2321 17.2321 k = 0.3265-0.1885 0.2666 ( 8080 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2938 -31.2938 -10.4092 -10.4092 -10.4071 -10.4071 -9.3889 -9.3889 -9.3736 -9.3736 -9.3694 -9.3694 2.3693 2.3693 4.9051 4.9051 5.3443 5.3443 6.1501 6.1501 6.6331 6.6331 6.8891 6.8891 8.4810 8.4810 9.4587 9.4587 9.6288 9.6288 12.2017 12.2017 13.1039 13.1039 16.9902 16.9902 17.3595 17.3595 k = 0.3367-0.1944 0.2749 ( 8080 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2938 -31.2938 -10.4091 -10.4091 -10.4070 -10.4070 -9.3888 -9.3888 -9.3736 -9.3736 -9.3693 -9.3693 2.4400 2.4400 4.8953 4.8953 5.3548 5.3548 6.1485 6.1485 6.6378 6.6378 6.8998 6.8998 8.3450 8.3450 9.3741 9.3741 9.5416 9.5416 12.1726 12.1726 13.0887 13.0887 17.1163 17.1163 17.4891 17.4891 k = 0.3469-0.2003 0.2833 ( 8072 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2938 -31.2938 -10.4091 -10.4091 -10.4070 -10.4070 -9.3887 -9.3887 -9.3735 -9.3735 -9.3691 -9.3691 2.5108 2.5108 4.8863 4.8863 5.3656 5.3656 6.1454 6.1454 6.6434 6.6434 6.9110 6.9110 8.2131 8.2131 9.2932 9.2932 9.4577 9.4577 12.1457 12.1457 13.0747 13.0747 17.2444 17.2444 17.6209 17.6209 k = 0.3571-0.2062 0.2916 ( 8072 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2938 -31.2938 -10.4090 -10.4090 -10.4070 -10.4070 -9.3886 -9.3886 -9.3735 -9.3735 -9.3690 -9.3690 2.5812 2.5812 4.8779 4.8779 5.3768 5.3768 6.1403 6.1403 6.6495 6.6495 6.9229 6.9229 8.0860 8.0860 9.2161 9.2161 9.3772 9.3772 12.1210 12.1210 13.0620 13.0620 17.3746 17.3746 17.7548 17.7548 k = 0.3673-0.2121 0.2999 ( 8072 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2938 -31.2938 -10.4090 -10.4090 -10.4070 -10.4070 -9.3885 -9.3885 -9.3736 -9.3736 -9.3689 -9.3689 2.6508 2.6508 4.8703 4.8703 5.3884 5.3884 6.1330 6.1330 6.6562 6.6562 6.9352 6.9352 7.9644 7.9644 9.1430 9.1430 9.3004 9.3004 12.0984 12.0984 13.0504 13.0504 17.5068 17.5068 17.8909 17.8909 k = 0.3776-0.2180 0.3083 ( 8072 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2938 -31.2938 -10.4089 -10.4089 -10.4069 -10.4069 -9.3884 -9.3884 -9.3736 -9.3736 -9.3687 -9.3687 2.7192 2.7192 4.8636 4.8636 5.4006 5.4006 6.1230 6.1230 6.6631 6.6631 6.9480 6.9480 7.8493 7.8493 9.0740 9.0740 9.2275 9.2275 12.0778 12.0778 13.0399 13.0399 17.6410 17.6410 18.0289 18.0289 k = 0.3878-0.2239 0.3166 ( 8064 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2938 -31.2938 -10.4089 -10.4089 -10.4069 -10.4069 -9.3883 -9.3883 -9.3736 -9.3736 -9.3686 -9.3686 2.7859 2.7859 4.8578 4.8578 5.4135 5.4135 6.1101 6.1101 6.6701 6.6701 6.9610 6.9610 7.7414 7.7414 9.0094 9.0094 9.1587 9.1587 12.0592 12.0592 13.0304 13.0304 17.7770 17.7770 18.1687 18.1687 k = 0.3980-0.2298 0.3249 ( 8080 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2938 -31.2938 -10.4088 -10.4088 -10.4069 -10.4069 -9.3882 -9.3882 -9.3736 -9.3736 -9.3685 -9.3685 2.8502 2.8502 4.8529 4.8529 5.4271 5.4271 6.0940 6.0940 6.6769 6.6769 6.9742 6.9742 7.6416 7.6416 8.9494 8.9494 9.0943 9.0943 12.0425 12.0425 13.0218 13.0218 17.9147 17.9147 18.3102 18.3102 k = 0.4082-0.2357 0.3333 ( 8068 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2938 -31.2938 -10.4088 -10.4088 -10.4069 -10.4069 -9.3881 -9.3881 -9.3736 -9.3736 -9.3684 -9.3684 2.9115 2.9115 4.8490 4.8490 5.4418 5.4418 6.0744 6.0744 6.6834 6.6834 6.9873 6.9873 7.5508 7.5508 8.8940 8.8940 9.0345 9.0345 12.0275 12.0275 13.0142 13.0142 18.0541 18.0541 18.4531 18.4531 k = 0.4184-0.2415 0.3416 ( 8060 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2938 -31.2938 -10.4087 -10.4087 -10.4069 -10.4069 -9.3881 -9.3881 -9.3736 -9.3736 -9.3683 -9.3683 2.9692 2.9692 4.8460 4.8460 5.4575 5.4575 6.0512 6.0512 6.6893 6.6893 7.0002 7.0002 7.4696 7.4696 8.8437 8.8437 8.9798 8.9798 12.0143 12.0143 13.0075 13.0075 18.1948 18.1948 18.5968 18.5968 k = 0.4286-0.2474 0.3499 ( 8060 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2938 -31.2938 -10.4087 -10.4087 -10.4069 -10.4069 -9.3880 -9.3880 -9.3736 -9.3736 -9.3682 -9.3682 3.0226 3.0226 4.8439 4.8439 5.4743 5.4743 6.0248 6.0248 6.6945 6.6945 7.0125 7.0125 7.3986 7.3986 8.7986 8.7986 8.9303 8.9303 12.0028 12.0028 13.0016 13.0016 18.3368 18.3368 18.7408 18.7408 k = 0.4388-0.2533 0.3583 ( 8064 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2938 -31.2938 -10.4086 -10.4086 -10.4069 -10.4069 -9.3880 -9.3880 -9.3736 -9.3736 -9.3681 -9.3681 3.0708 3.0708 4.8426 4.8426 5.4924 5.4924 5.9955 5.9955 6.6988 6.6988 7.0241 7.0241 7.3380 7.3380 8.7589 8.7589 8.8865 8.8865 11.9929 11.9929 12.9966 12.9966 18.4795 18.4795 18.8839 18.8839 k = 0.4490-0.2592 0.3666 ( 8072 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2938 -31.2938 -10.4086 -10.4086 -10.4069 -10.4069 -9.3879 -9.3879 -9.3736 -9.3736 -9.3681 -9.3681 3.1132 3.1132 4.8420 4.8420 5.5115 5.5115 5.9643 5.9643 6.7021 6.7021 7.0346 7.0346 7.2878 7.2878 8.7249 8.7249 8.8486 8.8486 11.9846 11.9846 12.9923 12.9923 18.6225 18.6225 19.0241 19.0241 k = 0.4592-0.2651 0.3749 ( 8068 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2938 -31.2938 -10.4086 -10.4086 -10.4069 -10.4069 -9.3879 -9.3879 -9.3736 -9.3736 -9.3680 -9.3680 3.1490 3.1490 4.8418 4.8418 5.5312 5.5312 5.9326 5.9326 6.7046 6.7046 7.0438 7.0438 7.2479 7.2479 8.6967 8.6967 8.8171 8.8171 11.9779 11.9779 12.9889 12.9889 18.7651 18.7651 19.1570 19.1570 k = 0.4694-0.2710 0.3833 ( 8068 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2939 -31.2939 -31.2938 -31.2938 -10.4086 -10.4086 -10.4069 -10.4069 -9.3879 -9.3879 -9.3736 -9.3736 -9.3680 -9.3680 3.1776 3.1776 4.8419 4.8419 5.5505 5.5505 5.9025 5.9025 6.7063 6.7063 7.0513 7.0513 7.2176 7.2176 8.6746 8.6746 8.7922 8.7922 11.9727 11.9727 12.9862 12.9862 18.9060 18.9060 19.2728 19.2728 k = 0.4796-0.2769 0.3916 ( 8068 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2939 -31.2939 -31.2938 -31.2938 -10.4086 -10.4086 -10.4069 -10.4069 -9.3879 -9.3879 -9.3736 -9.3736 -9.3680 -9.3680 3.1985 3.1985 4.8422 4.8422 5.5676 5.5676 5.8766 5.8766 6.7073 6.7073 7.0570 7.0570 7.1965 7.1965 8.6587 8.6587 8.7742 8.7742 11.9690 11.9690 12.9843 12.9843 19.0430 19.0430 19.3490 19.3490 k = 0.4898-0.2828 0.3999 ( 8060 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2939 -31.2939 -31.2938 -31.2938 -10.4086 -10.4086 -10.4069 -10.4069 -9.3878 -9.3878 -9.3736 -9.3736 -9.3679 -9.3679 3.2112 3.2112 4.8424 4.8424 5.5800 5.5800 5.8587 5.8587 6.7079 6.7079 7.0605 7.0605 7.1840 7.1840 8.6491 8.6491 8.7633 8.7633 11.9668 11.9668 12.9832 12.9832 19.1716 19.1716 19.3525 19.3525 k = 0.5000-0.2887 0.4082 ( 8080 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2939 -31.2939 -31.2938 -31.2938 -10.4086 -10.4086 -10.4069 -10.4069 -9.3878 -9.3878 -9.3736 -9.3736 -9.3679 -9.3679 3.2155 3.2155 4.8425 4.8425 5.5846 5.5846 5.8522 5.8522 6.7081 6.7081 7.0617 7.0617 7.1799 7.1799 8.6459 8.6459 8.7597 8.7597 11.9660 11.9660 12.9828 12.9828 19.2751 19.2751 19.2898 19.2898 k = 0.5000-0.2887 0.4082 ( 8080 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2939 -31.2939 -31.2938 -31.2938 -10.4086 -10.4086 -10.4069 -10.4069 -9.3878 -9.3878 -9.3736 -9.3736 -9.3679 -9.3679 3.2155 3.2155 4.8425 4.8425 5.5846 5.5846 5.8522 5.8522 6.7081 6.7081 7.0617 7.0617 7.1799 7.1799 8.6459 8.6459 8.7597 8.7597 11.9660 11.9660 12.9828 12.9828 19.2751 19.2751 19.2898 19.2898 k = 0.5000-0.2771 0.4164 ( 8072 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2938 -10.4086 -10.4085 -10.4070 -10.4068 -9.3879 -9.3878 -9.3737 -9.3735 -9.3680 -9.3679 3.2151 3.2159 4.8409 4.8461 5.5694 5.5991 5.8508 5.8544 6.6975 6.7187 7.0548 7.0664 7.1709 7.1860 8.6391 8.6508 8.7571 8.7603 11.9663 11.9786 12.9847 12.9887 19.2613 19.2630 19.2679 19.2734 k = 0.5000-0.2656 0.4246 ( 8062 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2938 -10.4087 -10.4084 -10.4071 -10.4067 -9.3879 -9.3878 -9.3738 -9.3734 -9.3680 -9.3679 3.2147 3.2162 4.8413 4.8516 5.5540 5.6126 5.8499 5.8580 6.6871 6.7296 7.0442 7.0700 7.1607 7.1883 8.6283 8.6551 8.7514 8.7613 11.9794 12.0037 12.9943 13.0022 19.1833 19.1852 19.2442 19.2520 k = 0.5000-0.2540 0.4327 ( 8066 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2938 -10.4087 -10.4084 -10.4072 -10.4065 -9.3879 -9.3877 -9.3739 -9.3733 -9.3681 -9.3679 3.2143 3.2166 4.8436 4.8591 5.5384 5.6248 5.8492 5.8632 6.6768 6.7408 7.0285 7.0731 7.1513 7.1862 8.6108 8.6579 8.7434 8.7653 12.0052 12.0411 13.0115 13.0234 19.0504 19.0578 19.2039 19.2154 k = 0.5000-0.2425 0.4409 ( 8066 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2938 -10.4088 -10.4083 -10.4073 -10.4064 -9.3879 -9.3877 -9.3740 -9.3732 -9.3682 -9.3678 3.2139 3.2169 4.8478 4.8686 5.5229 5.6352 5.8483 5.8706 6.6663 6.7521 7.0064 7.0760 7.1443 7.1800 8.5853 8.6558 8.7367 8.7737 12.0434 12.0900 13.0364 13.0522 18.8807 18.8960 19.1437 19.1582 k = 0.5000-0.2309 0.4491 ( 8060 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2938 -10.4088 -10.4082 -10.4074 -10.4063 -9.3879 -9.3877 -9.3741 -9.3731 -9.3683 -9.3678 3.2135 3.2172 4.8539 4.8800 5.5077 5.6435 5.8469 5.8805 6.6556 6.7635 6.9781 7.0788 7.1405 7.1701 8.5522 8.6432 8.7369 8.7863 12.0935 12.1500 13.0689 13.0885 18.6906 18.7141 19.0620 19.0772 k = 0.5000-0.2194 0.4572 ( 8060 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2938 -10.4089 -10.4082 -10.4075 -10.4062 -9.3879 -9.3876 -9.3741 -9.3730 -9.3683 -9.3679 3.2131 3.2175 4.8618 4.8934 5.4929 5.6497 5.8449 5.8929 6.6444 6.7751 6.9446 7.0815 7.1396 7.1575 8.5123 8.6187 8.7456 8.8025 12.1548 12.2202 13.1088 13.1321 18.4897 18.5209 18.9587 18.9719 k = 0.5000-0.2078 0.4654 ( 8060 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2938 -10.4089 -10.4081 -10.4076 -10.4061 -9.3878 -9.3876 -9.3742 -9.3728 -9.3684 -9.3679 3.2127 3.2178 4.8716 4.9086 5.4785 5.6536 5.8419 5.9079 6.6324 6.7866 6.9073 7.0830 7.1410 7.1439 8.4668 8.5851 8.7601 8.8211 12.2267 12.2999 13.1560 13.1828 18.2830 18.3214 18.8360 18.8454 k = 0.5000-0.1963 0.4736 ( 8058 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2938 -10.4090 -10.4080 -10.4077 -10.4060 -9.3878 -9.3875 -9.3743 -9.3727 -9.3685 -9.3679 3.2122 3.2180 4.8831 4.9257 5.4645 5.6554 5.8378 5.9253 6.6192 6.7978 6.8679 7.0808 7.1329 7.1444 8.4169 8.5449 8.7781 8.8415 12.3085 12.3885 13.2103 13.2406 18.0734 18.1182 18.6972 18.7019 k = 0.5000-0.1848 0.4817 ( 8064 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2938 -10.4090 -10.4080 -10.4078 -10.4059 -9.3878 -9.3874 -9.3743 -9.3726 -9.3686 -9.3680 3.2118 3.2183 4.8963 4.9446 5.4511 5.6552 5.8325 5.9448 6.6040 6.8087 6.8279 7.0713 7.1291 7.1495 8.3634 8.4997 8.7980 8.8627 12.3994 12.4853 13.2715 13.3051 17.8624 17.9133 18.5459 18.5462 k = 0.5000-0.1732 0.4899 ( 8056 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2938 -10.4091 -10.4079 -10.4079 -10.4059 -9.3878 -9.3874 -9.3744 -9.3724 -9.3687 -9.3680 3.2114 3.2185 4.9112 4.9653 5.4382 5.6534 5.8257 5.9660 6.5860 6.7890 6.8189 7.0550 7.1331 7.1561 8.3073 8.4507 8.8189 8.8844 12.4987 12.5895 13.3392 13.3760 17.6512 17.7077 18.3818 18.3854 k = 0.5000-0.1617 0.4981 ( 8060 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2938 -10.4091 -10.4080 -10.4078 -10.4058 -9.3877 -9.3873 -9.3744 -9.3723 -9.3689 -9.3681 3.2110 3.2187 4.9276 4.9876 5.4259 5.6501 5.8175 5.9884 6.5641 6.7531 6.8281 7.0355 7.1423 7.1642 8.2492 8.3987 8.8402 8.9060 12.6058 12.7007 13.4132 13.4531 17.4405 17.5022 18.2117 18.2186 k = 0.5000-0.1501 0.5062 ( 8060 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4091 -10.4081 -10.4078 -10.4057 -9.3877 -9.3872 -9.3745 -9.3721 -9.3690 -9.3682 3.2107 3.2189 4.9454 5.0116 5.4140 5.6455 5.8077 6.0119 6.5373 6.7217 6.8359 7.0153 7.1552 7.1738 8.1898 8.3445 8.8614 8.9271 12.7202 12.8182 13.4931 13.5359 17.2307 17.2973 18.0383 18.0477 k = 0.5000-0.1386 0.5144 ( 8064 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4092 -10.4082 -10.4077 -10.4056 -9.3877 -9.3872 -9.3745 -9.3720 -9.3691 -9.3683 3.2103 3.2190 4.9646 5.0371 5.4026 5.6397 5.7964 6.0359 6.5055 6.6955 6.8420 6.9959 7.1712 7.1849 8.1297 8.2885 8.8820 8.9474 12.8411 12.9416 13.5783 13.6240 17.0224 17.0937 17.8636 17.8749 k = 0.5000-0.1270 0.5226 ( 8056 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4092 -10.4082 -10.4077 -10.4055 -9.3876 -9.3871 -9.3745 -9.3718 -9.3692 -9.3683 3.2100 3.2192 4.9850 5.0639 5.3917 5.6327 5.7837 6.0601 6.4697 6.6743 6.8458 6.9785 7.1901 7.1977 8.0693 8.2315 8.9018 8.9667 12.9682 13.0705 13.6682 13.7167 16.8157 16.8914 17.6891 17.7017 k = 0.5000-0.1155 0.5307 ( 8050 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4092 -10.4083 -10.4076 -10.4055 -9.3876 -9.3871 -9.3745 -9.3717 -9.3693 -9.3684 3.2097 3.2193 5.0064 5.0920 5.3811 5.6246 5.7696 6.0840 6.4314 6.6571 6.8469 6.9638 7.2120 7.2122 8.0092 8.1739 8.9204 8.9847 13.1010 13.2045 13.7622 13.8134 16.6109 16.6910 17.5164 17.5298 k = 0.5000-0.1039 0.5389 ( 8050 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4083 -10.4075 -10.4054 -9.3875 -9.3870 -9.3746 -9.3715 -9.3694 -9.3685 3.2094 3.2194 5.0287 5.1211 5.3707 5.6152 5.7546 6.1074 6.3924 6.6428 6.8451 6.9526 7.2286 7.2366 7.9497 8.1161 8.9377 9.0014 13.2391 13.3430 13.8593 13.9132 16.4083 16.4925 17.3470 17.3607 k = 0.5000-0.0924 0.5471 ( 8048 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4084 -10.4075 -10.4054 -9.3875 -9.3870 -9.3746 -9.3714 -9.3695 -9.3687 3.2091 3.2195 5.0516 5.1510 5.3605 5.6045 5.7387 6.1297 6.3543 6.6307 6.8406 6.9448 7.2469 7.2639 7.8911 8.0586 8.9534 9.0165 13.3820 13.4859 13.9583 14.0150 16.2081 16.2962 17.1824 17.1960 k = 0.5000-0.0808 0.5552 ( 8044 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4084 -10.4075 -10.4053 -9.3875 -9.3869 -9.3746 -9.3712 -9.3696 -9.3688 3.2088 3.2196 5.0750 5.1815 5.3504 5.5925 5.7226 6.1502 6.3185 6.6201 6.8341 6.9400 7.2674 7.2936 7.8340 8.0018 8.9676 9.0300 13.5295 13.6327 14.0578 14.1175 16.0104 16.1025 17.0246 17.0376 k = 0.5000-0.0693 0.5634 ( 8052 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4085 -10.4074 -10.4053 -9.3874 -9.3869 -9.3746 -9.3710 -9.3696 -9.3689 3.2086 3.2197 5.0984 5.2122 5.3401 5.5791 5.7067 6.1679 6.2868 6.6109 6.8268 6.9373 7.2900 7.3255 7.7785 7.9462 8.9800 9.0418 13.6812 13.7829 14.1559 14.2188 15.8154 15.9114 16.8756 16.8876 k = 0.5000-0.0577 0.5715 ( 8058 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4094 -10.4085 -10.4074 -10.4053 -9.3874 -9.3868 -9.3746 -9.3709 -9.3697 -9.3690 3.2084 3.2198 5.1215 5.2425 5.3296 5.5644 5.6916 6.1809 6.2615 6.6028 6.8195 6.9359 7.3150 7.3591 7.7250 7.8924 8.9906 9.0518 13.8367 13.9359 14.2500 14.3166 15.6235 15.7236 16.7381 16.7487 k = 0.5000-0.0462 0.5797 ( 8050 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4094 -10.4086 -10.4074 -10.4052 -9.3874 -9.3868 -9.3746 -9.3708 -9.3698 -9.3692 3.2083 3.2198 5.1438 5.2718 5.3187 5.5486 5.6779 6.1853 6.2468 6.5959 6.8128 6.9353 7.3423 7.3938 7.6739 7.8410 8.9993 9.0601 13.9954 14.0906 14.3370 14.4081 15.4351 15.5395 16.6155 16.6245 k = 0.5000-0.0346 0.5879 ( 8056 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4094 -10.4086 -10.4074 -10.4052 -9.3874 -9.3868 -9.3746 -9.3706 -9.3698 -9.3693 3.2082 3.2199 5.1644 5.2989 5.3078 5.5324 5.6664 6.1797 6.2443 6.5902 6.8074 6.9350 7.3717 7.4284 7.6256 7.7934 9.0061 9.0665 14.1564 14.2446 14.4127 14.4901 15.2510 15.3603 16.5121 16.5192 k = 0.5000-0.0231 0.5960 ( 8050 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4094 -10.4086 -10.4073 -10.4052 -9.3874 -9.3868 -9.3746 -9.3705 -9.3698 -9.3694 3.2081 3.2199 5.1823 5.2973 5.3222 5.5173 5.6576 6.1706 6.2477 6.5860 6.8033 6.9350 7.4027 7.4604 7.5809 7.7521 9.0110 9.0712 14.3172 14.3903 14.4724 14.5621 15.0735 15.1892 16.4328 16.4381 k = 0.5000-0.0115 0.6042 ( 8058 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4094 -10.4086 -10.4073 -10.4052 -9.3874 -9.3868 -9.3746 -9.3704 -9.3699 -9.3695 3.2080 3.2199 5.1953 5.2890 5.3387 5.5057 5.6521 6.1637 6.2511 6.5834 6.8008 6.9350 7.4327 7.4852 7.5427 7.7217 9.0139 9.0739 14.4674 14.5014 14.5130 14.6344 14.9113 15.0365 16.3825 16.3865 k = 0.5000-0.0000 0.6124 ( 8088 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4094 -10.4086 -10.4073 -10.4052 -9.3874 -9.3868 -9.3746 -9.3704 -9.3699 -9.3695 3.2080 3.2199 5.2003 5.2857 5.3448 5.5012 5.6502 6.1612 6.2524 6.5825 6.8000 6.9350 7.4492 7.4950 7.5234 7.7099 9.0149 9.0749 14.5193 14.5388 14.5621 14.6882 14.8202 14.9563 16.3652 16.3687 k = 0.5000-0.0000 0.6124 ( 8088 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4094 -10.4086 -10.4073 -10.4052 -9.3874 -9.3868 -9.3746 -9.3704 -9.3699 -9.3695 3.2080 3.2199 5.2003 5.2857 5.3448 5.5012 5.6502 6.1612 6.2524 6.5825 6.8000 6.9350 7.4492 7.4950 7.5234 7.7099 9.0149 9.0749 14.5193 14.5388 14.5621 14.6882 14.8202 14.9563 16.3652 16.3687 k = 0.4931 0.0120 0.6124 ( 8056 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4094 -10.4086 -10.4073 -10.4052 -9.3874 -9.3868 -9.3746 -9.3704 -9.3699 -9.3695 3.2073 3.2192 5.1966 5.2872 5.3422 5.5042 5.6502 6.1632 6.2518 6.5826 6.7996 6.9346 7.4365 7.4922 7.5363 7.7182 9.0165 9.0769 14.4743 14.4835 14.5708 14.6734 14.8713 14.9998 16.3728 16.3834 k = 0.4861 0.0241 0.6124 ( 8052 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4094 -10.4086 -10.4073 -10.4052 -9.3874 -9.3868 -9.3746 -9.3705 -9.3699 -9.3694 3.2053 3.2170 5.1863 5.2914 5.3361 5.5112 5.6508 6.1689 6.2494 6.5832 6.7986 6.9335 7.4123 7.4792 7.5677 7.7404 9.0215 9.0830 14.3481 14.3754 14.5876 14.6635 14.9740 15.0942 16.4003 16.4184 k = 0.4792 0.0361 0.6124 ( 8061 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4094 -10.4086 -10.4073 -10.4052 -9.3874 -9.3868 -9.3746 -9.3705 -9.3699 -9.3693 3.2022 3.2137 5.1713 5.2963 5.3288 5.5198 5.6528 6.1777 6.2444 6.5844 6.7971 6.9313 7.3860 7.4605 7.6069 7.7717 9.0301 9.0935 14.1996 14.2396 14.5999 14.6616 15.0927 15.2072 16.4461 16.4697 k = 0.4722 0.0481 0.6124 ( 8059 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4094 -10.4086 -10.4073 -10.4052 -9.3874 -9.3868 -9.3746 -9.3706 -9.3700 -9.3692 3.1982 3.2095 5.1537 5.2993 5.3227 5.5290 5.6563 6.1886 6.2367 6.5864 6.7951 6.9283 7.3599 7.4402 7.6501 7.8081 9.0426 9.1083 14.0443 14.0917 14.6079 14.6608 15.2184 15.3290 16.5073 16.5347 k = 0.4653 0.0601 0.6124 ( 8057 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4094 -10.4086 -10.4073 -10.4052 -9.3874 -9.3868 -9.3746 -9.3707 -9.3700 -9.3691 3.1937 3.2046 5.1350 5.2970 5.3207 5.5388 5.6612 6.1994 6.2281 6.5894 6.7929 6.9244 7.3343 7.4201 7.6955 7.8469 9.0590 9.1277 13.8874 13.9396 14.6124 14.6591 15.3486 15.4561 16.5815 16.6114 k = 0.4583 0.0722 0.6124 ( 8053 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4094 -10.4086 -10.4073 -10.4053 -9.3874 -9.3868 -9.3746 -9.3708 -9.3700 -9.3689 3.1887 3.1992 5.1162 5.2896 5.3224 5.5497 5.6669 6.1999 6.2284 6.5930 6.7903 6.9197 7.3097 7.4012 7.7417 7.8864 9.0795 9.1514 13.7317 13.7871 14.6143 14.6561 15.4821 15.5871 16.6666 16.6981 k = 0.4514 0.0842 0.6124 ( 8047 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4086 -10.4073 -10.4053 -9.3875 -9.3868 -9.3746 -9.3709 -9.3700 -9.3688 3.1834 3.1935 5.0979 5.2799 5.3251 5.5618 5.6730 6.1858 6.2417 6.5972 6.7875 6.9145 7.2864 7.3838 7.7876 7.9251 9.1042 9.1793 13.5794 13.6368 14.6141 14.6519 15.6184 15.7213 16.7608 16.7933 k = 0.4444 0.0962 0.6124 ( 8055 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4086 -10.4073 -10.4053 -9.3875 -9.3868 -9.3746 -9.3710 -9.3701 -9.3687 3.1781 3.1876 5.0806 5.2694 5.3275 5.5755 5.6790 6.1666 6.2586 6.6015 6.7843 6.9089 7.2644 7.3681 7.8320 7.9621 9.1328 9.2110 13.4323 13.4906 14.6124 14.6469 15.7570 15.8582 16.8627 16.8958 k = 0.4375 0.1083 0.6124 ( 8057 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4086 -10.4072 -10.4054 -9.3875 -9.3868 -9.3746 -9.3711 -9.3701 -9.3686 3.1728 3.1818 5.0644 5.2586 5.3295 5.5905 5.6846 6.1449 6.2768 6.6056 6.7808 6.9031 7.2442 7.3540 7.8738 7.9966 9.1650 9.2458 13.2921 13.3503 14.6097 14.6415 15.8978 15.9976 16.9708 17.0046 k = 0.4306 0.1203 0.6124 ( 8059 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4087 -10.4072 -10.4054 -9.3876 -9.3868 -9.3746 -9.3711 -9.3701 -9.3685 3.1678 3.1762 5.0498 5.2481 5.3311 5.6068 5.6897 6.1219 6.2954 6.6091 6.7770 6.8974 7.2258 7.3416 7.9124 8.0281 9.2001 9.2828 13.1602 13.2173 14.6065 14.6360 16.0405 16.1392 17.0838 17.1186 k = 0.4236 0.1323 0.6124 ( 8062 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4087 -10.4072 -10.4055 -9.3876 -9.3868 -9.3746 -9.3712 -9.3701 -9.3684 3.1631 3.1709 5.0367 5.2382 5.3324 5.6239 5.6942 6.0981 6.3140 6.6117 6.7730 6.8919 7.2094 7.3307 7.9470 8.0561 9.2372 9.3209 13.0384 13.0934 14.6029 14.6306 16.1848 16.2828 17.2001 17.2370 k = 0.4167 0.1443 0.6124 ( 8066 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4087 -10.4072 -10.4055 -9.3876 -9.3868 -9.3746 -9.3713 -9.3701 -9.3684 3.1588 3.1661 5.0252 5.2291 5.3334 5.6414 5.6981 6.0744 6.3322 6.6131 6.7691 6.8870 7.1951 7.3214 7.9772 8.0804 9.2749 9.3586 12.9283 12.9803 14.5994 14.6255 16.3305 16.4281 17.3173 17.3589 k = 0.4097 0.1564 0.6124 ( 8071 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4087 -10.4071 -10.4056 -9.3877 -9.3868 -9.3746 -9.3714 -9.3701 -9.3683 3.1551 3.1617 5.0155 5.2211 5.3341 5.6587 5.7015 6.0514 6.3494 6.6131 6.7653 6.8828 7.1829 7.3136 8.0028 8.1009 9.3115 9.3945 12.8317 12.8797 14.5961 14.6209 16.4771 16.5751 17.4308 17.4832 k = 0.4028 0.1684 0.6124 ( 8070 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4087 -10.4071 -10.4056 -9.3877 -9.3868 -9.3746 -9.3714 -9.3701 -9.3683 3.1520 3.1581 5.0075 5.2143 5.3347 5.6748 5.7045 6.0300 6.3651 6.6119 6.7619 6.8794 7.1729 7.3072 8.0236 8.1176 9.3454 9.4267 12.7502 12.7933 14.5932 14.6171 16.6242 16.7232 17.5277 17.6084 k = 0.3958 0.1804 0.6124 ( 8068 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4087 -10.4071 -10.4056 -9.3877 -9.3868 -9.3746 -9.3715 -9.3701 -9.3682 3.1495 3.1551 5.0012 5.2089 5.3352 5.6885 5.7078 6.0112 6.3787 6.6099 6.7592 6.8768 7.1650 7.3023 8.0398 8.1305 9.3744 9.4538 12.6853 12.7232 14.5909 14.6139 16.7708 16.8718 17.5686 17.7318 k = 0.3889 0.1925 0.6124 ( 8070 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4087 -10.4071 -10.4056 -9.3877 -9.3868 -9.3746 -9.3715 -9.3701 -9.3682 3.1477 3.1529 4.9967 5.2050 5.3355 5.6975 5.7122 5.9962 6.3892 6.6076 6.7572 6.8750 7.1594 7.2988 8.0513 8.1396 9.3968 9.4743 12.6384 12.6712 14.5891 14.6116 16.9150 17.0189 17.5100 17.6741 k = 0.3819 0.2045 0.6124 ( 8064 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4087 -10.4071 -10.4057 -9.3877 -9.3868 -9.3746 -9.3715 -9.3700 -9.3682 3.1466 3.1516 4.9941 5.2026 5.3357 5.7014 5.7172 5.9865 6.3959 6.6058 6.7561 6.8739 7.1561 7.2968 8.0581 8.1450 9.4110 9.4870 12.6101 12.6389 14.5880 14.6102 17.0500 17.1558 17.4061 17.5305 k = 0.3750 0.2165 0.6124 ( 8072 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4087 -10.4071 -10.4057 -9.3877 -9.3868 -9.3746 -9.3715 -9.3701 -9.3682 3.1463 3.1512 4.9932 5.2018 5.3357 5.7024 5.7193 5.9831 6.3983 6.6051 6.7557 6.8736 7.1549 7.2961 8.0604 8.1468 9.4159 9.4913 12.6007 12.6280 14.5876 14.6098 17.1300 17.2244 17.3530 17.4403 k = 0.3750 0.2165 0.6124 ( 8072 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4087 -10.4071 -10.4057 -9.3877 -9.3868 -9.3746 -9.3715 -9.3701 -9.3682 3.1463 3.1512 4.9932 5.2018 5.3357 5.7024 5.7193 5.9831 6.3983 6.6051 6.7557 6.8736 7.1549 7.2961 8.0604 8.1468 9.4159 9.4913 12.6007 12.6280 14.5876 14.6098 17.1300 17.2244 17.3530 17.4403 k = 0.3678 0.2123 0.6006 ( 8064 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4087 -10.4070 -10.4057 -9.3877 -9.3868 -9.3746 -9.3714 -9.3702 -9.3682 3.1305 3.1350 5.0042 5.2252 5.3332 5.6919 5.6962 5.9880 6.3844 6.5718 6.7494 6.8745 7.1628 7.3405 8.0470 8.1171 9.4931 9.5702 12.6293 12.6531 14.7543 14.7819 17.0053 17.1098 17.2031 17.3020 k = 0.3606 0.2082 0.5888 ( 8068 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4088 -10.4069 -10.4057 -9.3877 -9.3867 -9.3746 -9.3713 -9.3704 -9.3682 3.1121 3.1162 5.0143 5.2382 5.3378 5.6753 5.6767 5.9932 6.3766 6.5413 6.7463 6.8752 7.1725 7.3886 8.0387 8.0903 9.5730 9.6518 12.6575 12.6779 14.9194 14.9541 16.8822 16.9981 17.0558 17.1680 k = 0.3534 0.2040 0.5770 ( 8058 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4088 -10.4069 -10.4057 -9.3877 -9.3867 -9.3746 -9.3712 -9.3706 -9.3682 3.0910 3.0947 5.0234 5.2400 5.3472 5.6529 5.6645 5.9997 6.3745 6.5134 6.7463 6.8761 7.1841 7.4398 8.0357 8.0667 9.6554 9.7359 12.6853 12.7026 15.0807 15.1241 16.7610 16.8880 16.9125 17.0388 k = 0.3462 0.1999 0.5653 ( 8058 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4089 -10.4068 -10.4057 -9.3877 -9.3867 -9.3746 -9.3712 -9.3707 -9.3682 3.0670 3.0702 5.0314 5.2342 5.3544 5.6253 5.6633 6.0077 6.3771 6.4880 6.7496 6.8773 7.1974 7.4935 8.0381 8.0469 9.7403 9.8223 12.7131 12.7274 15.2357 15.2899 16.6418 16.7639 16.7892 16.9145 k = 0.3389 0.1957 0.5535 ( 8050 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4094 -10.4089 -10.4068 -10.4058 -9.3878 -9.3867 -9.3746 -9.3711 -9.3709 -9.3683 3.0400 3.0427 5.0383 5.2241 5.3542 5.5942 5.6757 6.0170 6.3832 6.4650 6.7562 6.8790 7.2128 7.5492 8.0315 8.0462 9.8274 9.9110 12.7410 12.7525 15.3813 15.4487 16.5253 16.6262 16.6855 16.7955 k = 0.3317 0.1915 0.5417 ( 8054 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4094 -10.4089 -10.4067 -10.4058 -9.3878 -9.3867 -9.3746 -9.3711 -9.3709 -9.3683 3.0098 3.0120 5.0439 5.2113 5.3460 5.5609 5.7009 6.0272 6.3916 6.4442 6.7661 6.8814 7.2306 7.6057 8.0216 8.0602 9.9168 10.0019 12.7691 12.7778 15.5135 15.5977 16.4131 16.4903 16.5864 16.6817 k = 0.3245 0.1874 0.5299 ( 8050 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4094 -10.4089 -10.4067 -10.4059 -9.3879 -9.3867 -9.3746 -9.3713 -9.3709 -9.3683 2.9763 2.9781 5.0483 5.1964 5.3323 5.5271 5.7361 6.0380 6.4010 6.4252 6.7791 6.8846 7.2513 7.6615 8.0189 8.0802 10.0082 10.0950 12.7974 12.8036 15.6267 15.7333 16.3082 16.3580 16.4907 16.5732 k = 0.3173 0.1832 0.5182 ( 8054 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4094 -10.4089 -10.4066 -10.4059 -9.3879 -9.3867 -9.3746 -9.3715 -9.3709 -9.3683 2.9396 2.9410 5.0514 5.1798 5.3161 5.4940 5.7782 6.0488 6.4079 6.4104 6.7946 6.8887 7.2758 7.7142 8.0260 8.1064 10.1016 10.1899 12.8261 12.8297 15.7120 15.8508 16.2175 16.2310 16.3982 16.4698 k = 0.3101 0.1790 0.5064 ( 8050 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4094 -10.4089 -10.4066 -10.4060 -9.3880 -9.3868 -9.3746 -9.3716 -9.3708 -9.3683 2.8997 2.9007 5.0534 5.1619 5.2996 5.4624 5.8245 6.0594 6.3921 6.4193 6.8115 6.8937 7.3052 7.7609 8.0461 8.1387 10.1969 10.2868 12.8551 12.8563 15.7543 15.9387 16.1184 16.1542 16.3089 16.3715 k = 0.3029 0.1749 0.4946 ( 8054 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4095 -10.4089 -10.4066 -10.4061 -9.3880 -9.3868 -9.3746 -9.3718 -9.3708 -9.3683 2.8566 2.8572 5.0543 5.1432 5.2842 5.4331 5.8732 6.0694 6.3774 6.4273 6.8286 6.8995 7.3407 7.7994 8.0820 8.1772 10.2939 10.3855 12.8832 12.8845 15.7397 15.9308 16.0845 16.1307 16.2227 16.2786 k = 0.2957 0.1707 0.4828 ( 8060 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4095 -10.4089 -10.4066 -10.4062 -9.3881 -9.3869 -9.3746 -9.3719 -9.3708 -9.3683 2.8105 2.8108 5.0541 5.1243 5.2701 5.4066 5.9229 6.0788 6.3639 6.4343 6.8446 6.9061 7.3835 7.8301 8.1336 8.2217 10.3926 10.4859 12.9105 12.9142 15.6785 15.8288 16.1247 16.1327 16.1409 16.1942 k = 0.2885 0.1665 0.4711 ( 8056 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4095 -10.4089 -10.4066 -10.4063 -9.3882 -9.3870 -9.3746 -9.3721 -9.3708 -9.3683 2.7616 2.7616 5.0531 5.1060 5.2577 5.3830 5.9725 6.0875 6.3514 6.4403 6.8583 6.9133 7.4344 7.8563 8.1983 8.2720 10.4929 10.5878 12.9382 12.9443 15.5940 15.7151 16.0584 16.0929 16.1603 16.1620 k = 0.2812 0.1624 0.4593 ( 8054 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4095 -10.4089 -10.4065 -10.4064 -9.3883 -9.3870 -9.3745 -9.3722 -9.3708 -9.3683 2.7098 2.7100 5.0515 5.0886 5.2466 5.3623 6.0210 6.0953 6.3399 6.4455 6.8688 6.9209 7.4941 7.8817 8.2728 8.3281 10.5946 10.6913 12.9660 12.9745 15.5005 15.6018 15.9803 16.0153 16.1576 16.1666 k = 0.2740 0.1582 0.4475 ( 8066 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4096 -10.4089 -10.4066 -10.4065 -9.3884 -9.3872 -9.3745 -9.3724 -9.3708 -9.3683 2.6557 2.6561 5.0495 5.0728 5.2367 5.3444 6.0678 6.1024 6.3294 6.4502 6.8760 6.9286 7.5625 7.9096 8.3548 8.3895 10.6976 10.7962 12.9939 13.0049 15.4044 15.4911 15.9038 15.9381 16.1040 16.1206 k = 0.2668 0.1541 0.4357 ( 8054 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4096 -10.4089 -10.4066 -10.4066 -9.3885 -9.3873 -9.3745 -9.3725 -9.3709 -9.3683 2.5995 2.6001 5.0474 5.0588 5.2279 5.3291 6.1086 6.1119 6.3201 6.4546 6.8798 6.9360 7.6393 7.9420 8.4426 8.4562 10.8019 10.9023 13.0218 13.0353 15.3088 15.3836 15.8280 15.8631 15.9980 16.0285 k = 0.2596 0.1499 0.4240 ( 8046 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4096 -10.4088 -10.4067 -10.4066 -9.3886 -9.3874 -9.3744 -9.3726 -9.3709 -9.3683 2.5415 2.5424 5.0454 5.0468 5.2199 5.3162 6.1140 6.1523 6.3126 6.4589 6.8806 6.9428 7.7240 7.9806 8.5278 8.5352 10.9072 11.0095 13.0494 13.0654 15.2151 15.2797 15.7506 15.7890 15.8839 15.9271 k = 0.2524 0.1457 0.4122 ( 8050 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4097 -10.4088 -10.4069 -10.4066 -9.3887 -9.3875 -9.3744 -9.3728 -9.3710 -9.3683 2.4822 2.4831 5.0368 5.0438 5.2126 5.3051 6.1186 6.1872 6.3085 6.4634 6.8788 6.9487 7.8160 8.0264 8.6043 8.6321 11.0134 11.1178 13.0765 13.0951 15.1246 15.1798 15.6684 15.7091 15.7780 15.8315 k = 0.2452 0.1416 0.4004 ( 8058 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4097 -10.4088 -10.4070 -10.4066 -9.3888 -9.3877 -9.3744 -9.3729 -9.3710 -9.3683 2.4216 2.4226 5.0288 5.0428 5.2060 5.2957 6.1224 6.2134 6.3108 6.4682 6.8749 6.9534 7.9146 8.0801 8.6853 8.7328 11.1205 11.2269 13.1028 13.1240 15.0380 15.0841 15.5786 15.6116 15.6945 15.7479 k = 0.2380 0.1374 0.3886 ( 8054 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4097 -10.4088 -10.4071 -10.4067 -9.3889 -9.3878 -9.3743 -9.3730 -9.3711 -9.3684 2.3602 2.3613 5.0228 5.0424 5.1998 5.2876 6.1254 6.2273 6.3229 6.4734 6.8694 6.9567 8.0193 8.1419 8.7707 8.8371 11.2281 11.3367 13.1279 13.1519 14.9559 14.9929 15.4816 15.5013 15.6289 15.6770 k = 0.2308 0.1332 0.3768 ( 8058 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4098 -10.4087 -10.4072 -10.4067 -9.3890 -9.3880 -9.3743 -9.3731 -9.3712 -9.3684 2.2983 2.2994 5.0186 5.0428 5.1942 5.2806 6.1276 6.2301 6.3438 6.4793 6.8626 6.9585 8.1295 8.2121 8.8604 8.9448 11.3362 11.4471 13.1513 13.1782 14.8791 14.9066 15.3803 15.3882 15.5718 15.6165 k = 0.2236 0.1291 0.3651 ( 8058 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4098 -10.4087 -10.4073 -10.4068 -9.3892 -9.3882 -9.3742 -9.3732 -9.3713 -9.3685 2.2360 2.2371 5.0162 5.0440 5.1890 5.2744 6.1291 6.2269 6.3687 6.4857 6.8549 6.9587 8.2449 8.2904 8.9541 9.0557 11.4445 11.5578 13.1726 13.2025 14.8083 14.8253 15.2756 15.2781 15.5201 15.5639 k = 0.2163 0.1249 0.3533 ( 8054 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4098 -10.4087 -10.4075 -10.4068 -9.3893 -9.3884 -9.3741 -9.3733 -9.3714 -9.3685 2.1738 2.1749 5.0154 5.0460 5.1841 5.2688 6.1300 6.2208 6.3945 6.4929 6.8466 6.9575 8.3650 8.3765 9.0518 9.1699 11.5528 11.6686 13.1911 13.2241 14.7441 14.7495 15.1646 15.1770 15.4728 15.5176 k = 0.2091 0.1207 0.3415 ( 8054 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4099 -10.4087 -10.4076 -10.4069 -9.3894 -9.3885 -9.3741 -9.3733 -9.3715 -9.3686 2.1118 2.1129 5.0160 5.0488 5.1796 5.2637 6.1303 6.2136 6.4197 6.5008 6.8380 6.9549 8.4701 8.4894 9.1533 9.2871 11.6608 11.7792 13.2063 13.2424 14.6790 14.6872 15.0555 15.0789 15.4299 15.4767 k = 0.2019 0.1166 0.3297 ( 8056 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2938 -31.2938 -31.2937 -31.2937 -10.4099 -10.4087 -10.4077 -10.4069 -9.3896 -9.3887 -9.3740 -9.3734 -9.3716 -9.3687 2.0503 2.0513 5.0178 5.0523 5.1754 5.2590 6.1301 6.2057 6.4440 6.5093 6.8293 6.9512 8.5708 8.6179 9.2585 9.4073 11.7683 11.8895 13.2174 13.2567 14.6139 14.6385 14.9488 14.9852 15.3911 15.4409 k = 0.1947 0.1124 0.3180 ( 8052 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2938 -31.2938 -31.2937 -31.2937 -10.4099 -10.4087 -10.4078 -10.4070 -9.3897 -9.3889 -9.3740 -9.3735 -9.3718 -9.3688 1.9895 1.9904 5.0207 5.0564 5.1715 5.2544 6.1295 6.1978 6.4672 6.5186 6.8206 6.9465 8.6780 8.7502 9.3673 9.5304 11.8750 11.9990 13.2238 13.2664 14.5533 14.5985 14.8445 14.8979 15.3566 15.4100 k = 0.1875 0.1083 0.3062 ( 8052 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2938 -31.2938 -31.2937 -31.2937 -10.4100 -10.4086 -10.4080 -10.4071 -9.3898 -9.3891 -9.3739 -9.3735 -9.3719 -9.3689 1.9295 1.9305 5.0246 5.0611 5.1678 5.2501 6.1285 6.1898 6.4894 6.5285 6.8122 6.9410 8.7912 8.8859 9.4797 9.6564 11.9804 12.1075 13.2252 13.2707 14.4957 14.5677 14.7429 14.8192 15.3263 15.3840 k = 0.1803 0.1041 0.2944 ( 8040 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2937 -31.2937 -10.4100 -10.4086 -10.4081 -10.4072 -9.3900 -9.3893 -9.3738 -9.3736 -9.3720 -9.3690 1.8707 1.8716 5.0293 5.0662 5.1644 5.2458 6.1272 6.1821 6.5106 6.5391 6.8041 6.9349 8.9101 9.0249 9.5955 9.7852 12.0841 12.2146 13.2210 13.2694 14.4388 14.5461 14.6445 14.7523 15.3003 15.3629 k = 0.1731 0.0999 0.2826 ( 8044 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2937 -31.2937 -10.4100 -10.4086 -10.4082 -10.4073 -9.3901 -9.3895 -9.3738 -9.3736 -9.3722 -9.3692 1.8131 1.8139 5.0346 5.0716 5.1612 5.2415 6.1258 6.1746 6.5309 6.5501 6.7965 6.9282 9.0341 9.1668 9.7147 9.9168 12.1857 12.3198 13.2114 13.2623 14.3797 14.5278 14.5553 14.7003 15.2787 15.3469 k = 0.1659 0.0958 0.2709 ( 8028 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2937 -31.2937 -10.4100 -10.4086 -10.4083 -10.4073 -9.3903 -9.3897 -9.3737 -9.3737 -9.3723 -9.3693 1.7570 1.7577 5.0404 5.0773 5.1582 5.2373 6.1242 6.1675 6.5504 6.5617 6.7894 6.9212 9.1629 9.3115 9.8371 10.0510 12.2846 12.4227 13.1965 13.2497 14.3166 14.4510 14.5367 14.6650 15.2616 15.3359 k = 0.1587 0.0916 0.2591 ( 8044 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2937 -31.2937 -10.4101 -10.4086 -10.4084 -10.4074 -9.3904 -9.3899 -9.3737 -9.3737 -9.3724 -9.3695 1.7024 1.7030 5.0466 5.0831 5.1554 5.2330 6.1227 6.1609 6.5691 6.5736 6.7829 6.9140 9.2961 9.4587 9.9628 10.1877 12.3801 12.5229 13.1769 13.2323 14.2494 14.3616 14.5426 14.6460 15.2489 15.3299 k = 0.1514 0.0874 0.2473 ( 8048 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2937 -31.2937 -10.4101 -10.4087 -10.4085 -10.4075 -9.3906 -9.3901 -9.3737 -9.3736 -9.3726 -9.3696 1.6495 1.6501 5.0531 5.0890 5.1528 5.2287 6.1212 6.1547 6.5859 6.5871 6.7770 6.9067 9.4334 9.6082 10.0915 10.3269 12.4712 12.6198 13.1531 13.2112 14.1795 14.2745 14.5569 14.6413 15.2406 15.3281 k = 0.1442 0.0833 0.2355 ( 8052 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2937 -31.2937 -10.4101 -10.4087 -10.4086 -10.4076 -9.3907 -9.3903 -9.3738 -9.3735 -9.3727 -9.3698 1.5984 1.5989 5.0597 5.0948 5.1504 5.2243 6.1198 6.1490 6.5984 6.6044 6.7718 6.8993 9.5744 9.7596 10.2233 10.4685 12.5570 12.7130 13.1262 13.1878 14.1085 14.1905 14.5779 14.6482 15.2359 15.3233 k = 0.1370 0.0791 0.2238 ( 8042 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2937 -31.2937 -31.2937 -10.4101 -10.4087 -10.4087 -10.4077 -9.3908 -9.3905 -9.3738 -9.3735 -9.3728 -9.3700 1.5492 1.5497 5.0663 5.1005 5.1482 5.2199 6.1186 6.1439 6.6112 6.6210 6.7672 6.8919 9.7188 9.9128 10.3580 10.6124 12.6356 12.8018 13.0969 13.1643 14.0379 14.1098 14.6039 14.6641 15.2332 15.2771 k = 0.1298 0.0749 0.2120 ( 8036 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2937 -31.2937 -31.2937 -10.4101 -10.4088 -10.4087 -10.4078 -9.3910 -9.3907 -9.3738 -9.3734 -9.3729 -9.3702 1.5021 1.5025 5.0728 5.1060 5.1462 5.2154 6.1176 6.1393 6.6240 6.6370 6.7633 6.8846 9.8663 10.0674 10.4955 10.7584 12.7047 12.8856 13.0663 13.1436 13.9686 14.0324 14.6329 14.6864 15.2050 15.2280 k = 0.1226 0.0708 0.2002 ( 8044 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2937 -31.2937 -31.2937 -10.4101 -10.4089 -10.4087 -10.4079 -9.3911 -9.3909 -9.3738 -9.3734 -9.3730 -9.3704 1.4570 1.4574 5.0793 5.1113 5.1444 5.2109 6.1169 6.1353 6.6368 6.6523 6.7601 6.8774 10.0167 10.2231 10.6357 10.9063 12.7605 12.9637 13.0358 13.1299 13.9014 13.9585 14.6623 14.7129 15.1289 15.2119 k = 0.1154 0.0666 0.1884 ( 8036 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4101 -10.4090 -10.4088 -10.4080 -9.3913 -9.3910 -9.3738 -9.3733 -9.3731 -9.3705 1.4142 1.4145 5.0855 5.1162 5.1428 5.2063 6.1164 6.1319 6.6496 6.6669 6.7576 6.8704 10.1696 10.3796 10.7783 11.0561 12.7985 13.0008 13.0408 13.1282 13.8368 13.8882 14.6889 14.7407 15.0519 15.1796 k = 0.1082 0.0625 0.1766 ( 8028 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4101 -10.4090 -10.4088 -10.4081 -9.3914 -9.3912 -9.3738 -9.3733 -9.3732 -9.3707 1.3736 1.3738 5.0915 5.1208 5.1413 5.2017 6.1162 6.1291 6.6622 6.6809 6.7557 6.8635 10.3248 10.5365 10.9233 11.2074 12.8155 12.9726 13.1063 13.1420 13.7752 13.8215 14.7084 14.7658 14.9759 15.1374 k = 0.1010 0.0583 0.1649 ( 8008 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4101 -10.4091 -10.4088 -10.4082 -9.3915 -9.3914 -9.3737 -9.3733 -9.3733 -9.3709 1.3354 1.3356 5.0972 5.1249 5.1401 5.1972 6.1162 6.1268 6.6746 6.6941 6.7544 6.8569 10.4819 10.6934 11.0702 11.3602 12.8141 12.9447 13.1672 13.1692 13.7170 13.7587 14.7157 14.7798 14.9064 15.0927 k = 0.0938 0.0541 0.1531 ( 8022 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4101 -10.4092 -10.4089 -10.4083 -9.3916 -9.3915 -9.3737 -9.3734 -9.3732 -9.3711 1.2995 1.2997 5.1025 5.1287 5.1391 5.1926 6.1165 6.1251 6.6867 6.7066 6.7538 6.8504 10.6405 10.8498 11.2188 11.5140 12.8004 12.9193 13.2042 13.2223 13.6625 13.6998 14.7062 14.7590 14.8629 15.0482 k = 0.0865 0.0500 0.1413 ( 8014 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4100 -10.4092 -10.4089 -10.4084 -9.3918 -9.3917 -9.3737 -9.3734 -9.3732 -9.3713 1.2661 1.2663 5.1075 5.1321 5.1383 5.1881 6.1169 6.1238 6.6983 6.7183 6.7537 6.8441 10.8002 11.0049 11.3688 11.6687 12.7801 12.8973 13.2417 13.2712 13.6118 13.6450 14.6778 14.6953 14.8483 15.0009 k = 0.0793 0.0458 0.1295 ( 8014 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4100 -10.4093 -10.4090 -10.4085 -9.3919 -9.3918 -9.3737 -9.3735 -9.3732 -9.3715 1.2352 1.2353 5.1121 5.1351 5.1377 5.1836 6.1176 6.1229 6.7096 6.7292 6.7541 6.8381 10.9604 11.1581 11.5195 11.8239 12.7573 12.8798 13.2783 13.3143 13.5654 13.5943 14.6160 14.6319 14.8294 14.9432 k = 0.0721 0.0416 0.1178 ( 8010 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4100 -10.4093 -10.4090 -10.4086 -9.3920 -9.3919 -9.3737 -9.3735 -9.3732 -9.3717 1.2069 1.2070 5.1164 5.1374 5.1376 5.1793 6.1184 6.1224 6.7202 6.7391 6.7550 6.8322 11.1204 11.3081 11.6705 11.9790 12.7346 12.8679 13.3119 13.3516 13.5237 13.5481 14.5312 14.5717 14.7905 14.8676 k = 0.0649 0.0375 0.1060 ( 7990 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4099 -10.4094 -10.4091 -10.4086 -9.3921 -9.3920 -9.3737 -9.3735 -9.3731 -9.3719 1.1811 1.1812 5.1202 5.1373 5.1397 5.1750 6.1193 6.1222 6.7302 6.7482 6.7564 6.8265 11.2792 11.4536 11.8209 12.1335 12.7140 12.8632 13.3412 13.3835 13.4873 13.5064 14.4430 14.5005 14.7269 14.7707 k = 0.0577 0.0333 0.0942 ( 7976 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4099 -10.4094 -10.4091 -10.4087 -9.3922 -9.3921 -9.3737 -9.3735 -9.3731 -9.3721 1.1580 1.1580 5.1237 5.1374 5.1415 5.1708 6.1202 6.1223 6.7395 6.7563 6.7582 6.8210 11.4355 11.5925 11.9699 12.2861 12.6978 12.8673 13.3642 13.4098 13.4582 13.4700 14.3520 14.4203 14.6392 14.6547 k = 0.0505 0.0291 0.0824 ( 7972 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4099 -10.4094 -10.4092 -10.4088 -9.3922 -9.3922 -9.3736 -9.3734 -9.3731 -9.3722 1.1375 1.1376 5.1268 5.1378 5.1429 5.1668 6.1212 6.1226 6.7480 6.7605 6.7634 6.8157 11.5871 11.7224 12.1162 12.4342 12.6897 12.8826 13.3763 13.4268 13.4410 13.4431 14.2587 14.3324 14.5247 14.5315 k = 0.0433 0.0250 0.0707 ( 7968 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4098 -10.4094 -10.4092 -10.4089 -9.3923 -9.3923 -9.3736 -9.3734 -9.3731 -9.3724 1.1197 1.1197 5.1297 5.1385 5.1439 5.1630 6.1221 6.1230 6.7556 6.7632 6.7694 6.8105 11.7312 11.8401 12.2583 12.5659 12.7027 12.9116 13.3732 13.4093 13.4402 13.4517 14.1634 14.2372 14.3865 14.4090 k = 0.0361 0.0208 0.0589 ( 7966 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4097 -10.4094 -10.4092 -10.4090 -9.3924 -9.3924 -9.3736 -9.3734 -9.3731 -9.3726 1.1046 1.1046 5.1322 5.1393 5.1446 5.1594 6.1229 6.1234 6.7620 6.7665 6.7744 6.8055 11.8633 11.9423 12.3938 12.6377 12.7819 12.9566 13.3635 13.3902 13.4478 13.4634 14.0672 14.1352 14.2463 14.2770 k = 0.0288 0.0167 0.0471 ( 7974 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4097 -10.4094 -10.4093 -10.4091 -9.3924 -9.3924 -9.3735 -9.3733 -9.3731 -9.3727 1.0922 1.0922 5.1346 5.1403 5.1450 5.1559 6.1236 6.1239 6.7669 6.7706 6.7783 6.8006 11.9775 12.0264 12.5194 12.6680 12.9102 13.0185 13.3569 13.3786 13.4548 13.4702 13.9721 14.0274 14.1101 14.1404 k = 0.0216 0.0125 0.0353 ( 7979 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4096 -10.4094 -10.4093 -10.4092 -9.3925 -9.3925 -9.3735 -9.3733 -9.3732 -9.3729 1.0826 1.0826 5.1369 5.1413 5.1451 5.1526 6.1242 6.1243 6.7709 6.7748 6.7811 6.7959 12.0675 12.0911 12.6299 12.7009 13.0420 13.0954 13.3584 13.3769 13.4570 13.4702 13.8820 13.9187 13.9827 14.0045 k = 0.0144 0.0083 0.0236 ( 7989 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4096 -10.4094 -10.4094 -10.4093 -9.3925 -9.3925 -9.3734 -9.3733 -9.3732 -9.3730 1.0757 1.0757 5.1392 5.1423 5.1450 5.1495 6.1246 6.1247 6.7748 6.7784 6.7828 6.7914 12.1291 12.1367 12.7179 12.7409 13.1629 13.1807 13.3723 13.3877 13.4512 13.4605 13.8037 13.8213 13.8671 13.8769 k = 0.0072 0.0042 0.0118 ( 7991 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4095 -10.4094 -10.4094 -10.4093 -9.3925 -9.3925 -9.3733 -9.3733 -9.3732 -9.3731 1.0715 1.0715 5.1415 5.1432 5.1446 5.1467 6.1249 6.1249 6.7787 6.7811 6.7834 6.7870 12.1631 12.1641 12.7742 12.7773 13.2572 13.2593 13.4005 13.4097 13.4354 13.4395 13.7484 13.7535 13.7720 13.7732 k = 0.0000 0.0000 0.0000 ( 7991 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4094 -10.4094 -10.4094 -10.4094 -9.3925 -9.3925 -9.3732 -9.3732 -9.3732 -9.3732 1.0702 1.0702 5.1440 5.1440 5.1440 5.1440 6.1250 6.1250 6.7828 6.7828 6.7828 6.7828 12.1735 12.1735 12.7930 12.7930 13.2972 13.2972 13.4226 13.4226 13.4226 13.4226 13.7289 13.7289 13.7289 13.7289 k = 0.0000 0.0000 0.0000 ( 7991 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4094 -10.4094 -10.4094 -10.4094 -9.3925 -9.3925 -9.3732 -9.3732 -9.3732 -9.3732 1.0702 1.0702 5.1440 5.1440 5.1440 5.1440 6.1250 6.1250 6.7828 6.7828 6.7828 6.7828 12.1735 12.1735 12.7930 12.7930 13.2972 13.2972 13.4226 13.4226 13.4226 13.4226 13.7289 13.7289 13.7289 13.7289 k = 0.0116 0.0067 0.0047 ( 7991 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4095 -10.4094 -10.4094 -10.4093 -9.3925 -9.3925 -9.3733 -9.3732 -9.3732 -9.3731 1.0715 1.0715 5.1415 5.1439 5.1439 5.1467 6.1249 6.1249 6.7787 6.7822 6.7822 6.7872 12.1638 12.1638 12.7763 12.7763 13.2596 13.2596 13.3984 13.4082 13.4388 13.4388 13.7467 13.7508 13.7731 13.7731 k = 0.0233 0.0134 0.0095 ( 7988 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4096 -10.4094 -10.4094 -10.4093 -9.3925 -9.3925 -9.3734 -9.3732 -9.3732 -9.3730 1.0756 1.0756 5.1391 5.1436 5.1436 5.1497 6.1247 6.1247 6.7748 6.7805 6.7805 6.7918 12.1330 12.1330 12.7321 12.7321 13.1816 13.1816 13.3466 13.3648 13.4761 13.4761 13.7932 13.8030 13.8781 13.8781 k = 0.0349 0.0201 0.0142 ( 7982 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4096 -10.4094 -10.4094 -10.4092 -9.3925 -9.3925 -9.3735 -9.3732 -9.3732 -9.3729 1.0823 1.0823 5.1370 5.1431 5.1431 5.1527 6.1243 6.1243 6.7713 6.7776 6.7776 6.7966 12.0769 12.0769 12.6747 12.6747 13.0964 13.0964 13.2818 13.3073 13.5258 13.5258 13.8537 13.8702 14.0092 14.0092 k = 0.0465 0.0269 0.0190 ( 7988 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4097 -10.4094 -10.4094 -10.4091 -9.3924 -9.3924 -9.3735 -9.3733 -9.3733 -9.3727 1.0917 1.0917 5.1351 5.1423 5.1423 5.1560 6.1238 6.1238 6.7680 6.7736 6.7736 6.8016 11.9913 11.9913 12.6184 12.6184 13.0147 13.0147 13.2114 13.2438 13.5831 13.5831 13.9203 13.9441 14.1498 14.1498 k = 0.0581 0.0336 0.0237 ( 7979 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4098 -10.4093 -10.4093 -10.4090 -9.3924 -9.3924 -9.3736 -9.3733 -9.3733 -9.3726 1.1038 1.1038 5.1334 5.1413 5.1413 5.1593 6.1232 6.1232 6.7651 6.7685 6.7685 6.8068 11.8762 11.8762 12.5714 12.5714 12.9387 12.9387 13.1390 13.1777 13.6444 13.6444 13.9893 14.0208 14.2924 14.2924 k = 0.0698 0.0403 0.0285 ( 7982 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4098 -10.4093 -10.4093 -10.4089 -9.3923 -9.3923 -9.3736 -9.3733 -9.3733 -9.3724 1.1185 1.1185 5.1320 5.1401 5.1401 5.1628 6.1226 6.1226 6.7623 6.7623 6.7625 6.8122 11.7365 11.7365 12.5344 12.5344 12.8688 12.8688 13.0659 13.1108 13.7073 13.7073 14.0587 14.0981 14.4328 14.4328 k = 0.0814 0.0470 0.0332 ( 7952 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4099 -10.4093 -10.4093 -10.4088 -9.3922 -9.3922 -9.3736 -9.3733 -9.3733 -9.3722 1.1358 1.1358 5.1307 5.1386 5.1386 5.1663 6.1220 6.1220 6.7551 6.7551 6.7604 6.8178 11.5788 11.5788 12.5038 12.5038 12.8057 12.8057 12.9931 13.0439 13.7701 13.7701 14.1267 14.1742 14.5682 14.5682 k = 0.0930 0.0537 0.0380 ( 7955 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4099 -10.4092 -10.4092 -10.4087 -9.3921 -9.3921 -9.3736 -9.3733 -9.3733 -9.3720 1.1558 1.1558 5.1297 5.1369 5.1369 5.1699 6.1215 6.1215 6.7468 6.7468 6.7586 6.8236 11.4088 11.4088 12.4746 12.4746 12.7505 12.7505 12.9209 12.9775 13.8315 13.8315 14.1923 14.2477 14.6963 14.6963 k = 0.1047 0.0604 0.0427 ( 7976 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4100 -10.4092 -10.4092 -10.4087 -9.3921 -9.3921 -9.3736 -9.3734 -9.3734 -9.3718 1.1783 1.1783 5.1289 5.1348 5.1348 5.1735 6.1211 6.1211 6.7377 6.7377 6.7573 6.8296 11.2307 11.2307 12.4423 12.4423 12.7053 12.7053 12.8497 12.9119 13.8905 13.8905 14.2540 14.3171 14.8146 14.8146 k = 0.1163 0.0671 0.0475 ( 7994 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4100 -10.4092 -10.4092 -10.4086 -9.3920 -9.3920 -9.3736 -9.3734 -9.3734 -9.3717 1.2033 1.2033 5.1283 5.1324 5.1324 5.1771 6.1208 6.1208 6.7276 6.7276 6.7566 6.8358 11.0476 11.0476 12.4035 12.4035 12.6714 12.6714 12.7796 12.8471 13.9461 13.9461 14.3105 14.3805 14.9207 14.9207 k = 0.1279 0.0738 0.0522 ( 7997 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4100 -10.4091 -10.4091 -10.4085 -9.3918 -9.3918 -9.3735 -9.3734 -9.3734 -9.3715 1.2309 1.2309 5.1278 5.1298 5.1298 5.1806 6.1208 6.1208 6.7166 6.7166 6.7563 6.8421 10.8615 10.8615 12.3575 12.3575 12.6484 12.6484 12.7107 12.7834 13.9974 13.9974 14.3604 14.4361 15.0115 15.0115 k = 0.1395 0.0806 0.0570 ( 8009 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4101 -10.4091 -10.4091 -10.4084 -9.3917 -9.3917 -9.3735 -9.3735 -9.3735 -9.3713 1.2609 1.2609 5.1268 5.1268 5.1276 5.1840 6.1211 6.1211 6.7049 6.7049 6.7566 6.8486 10.6738 10.6738 12.3054 12.3054 12.6343 12.6343 12.6432 12.7208 14.0436 14.0436 14.4024 14.4819 15.0844 15.0844 k = 0.1512 0.0873 0.0617 ( 8015 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4101 -10.4090 -10.4090 -10.4084 -9.3916 -9.3916 -9.3735 -9.3735 -9.3734 -9.3711 1.2933 1.2933 5.1235 5.1235 5.1275 5.1874 6.1216 6.1216 6.6924 6.6924 6.7575 6.8553 10.4855 10.4855 12.2492 12.2492 12.5771 12.6266 12.6266 12.6593 14.0839 14.0839 14.4352 14.5163 15.1381 15.1381 k = 0.1628 0.0940 0.0665 ( 8015 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4101 -10.4089 -10.4089 -10.4083 -9.3915 -9.3915 -9.3736 -9.3736 -9.3733 -9.3709 1.3280 1.3280 5.1199 5.1199 5.1276 5.1906 6.1225 6.1225 6.6791 6.6791 6.7590 6.8622 10.2977 10.2977 12.1904 12.1904 12.5125 12.5990 12.6232 12.6232 14.1177 14.1177 14.4581 14.5381 15.1735 15.1735 k = 0.1744 0.1007 0.0712 ( 8015 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4101 -10.4089 -10.4089 -10.4082 -9.3913 -9.3913 -9.3736 -9.3736 -9.3732 -9.3707 1.3650 1.3650 5.1161 5.1161 5.1278 5.1936 6.1238 6.1238 6.6652 6.6652 6.7612 6.8692 10.1108 10.1108 12.1303 12.1303 12.4493 12.5399 12.6228 12.6228 14.1448 14.1448 14.4708 14.5469 15.1936 15.1936 k = 0.1860 0.1074 0.0760 ( 8015 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4101 -10.4088 -10.4088 -10.4082 -9.3912 -9.3912 -9.3737 -9.3737 -9.3731 -9.3704 1.4042 1.4042 5.1120 5.1120 5.1282 5.1964 6.1254 6.1254 6.6507 6.6507 6.7640 6.8763 9.9255 9.9255 12.0696 12.0696 12.3877 12.4820 12.6244 12.6244 14.1650 14.1650 14.4733 14.5432 15.2026 15.2026 k = 0.1977 0.1141 0.0807 ( 8021 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4101 -10.4087 -10.4087 -10.4081 -9.3910 -9.3910 -9.3737 -9.3737 -9.3730 -9.3702 1.4455 1.4455 5.1078 5.1078 5.1287 5.1989 6.1274 6.1274 6.6356 6.6356 6.7675 6.8836 9.7422 9.7422 12.0088 12.0088 12.3277 12.4252 12.6273 12.6273 14.1785 14.1785 14.4665 14.5285 15.2039 15.2039 k = 0.2093 0.1208 0.0854 ( 8012 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2937 -31.2937 -31.2937 -31.2937 -10.4101 -10.4086 -10.4086 -10.4081 -9.3909 -9.3909 -9.3737 -9.3737 -9.3728 -9.3700 1.4888 1.4888 5.1034 5.1034 5.1293 5.2012 6.1296 6.1296 6.6199 6.6199 6.7717 6.8911 9.5614 9.5614 11.9482 11.9482 12.2693 12.3697 12.6311 12.6311 14.1857 14.1857 14.4513 14.5045 15.2003 15.2003 k = 0.2209 0.1276 0.0902 ( 8024 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2937 -31.2937 -10.4101 -10.4086 -10.4086 -10.4080 -9.3907 -9.3907 -9.3738 -9.3738 -9.3727 -9.3698 1.5340 1.5340 5.0990 5.0990 5.1300 5.2033 6.1322 6.1322 6.6038 6.6038 6.7766 6.8986 9.3835 9.3835 11.8882 11.8882 12.2125 12.3154 12.6354 12.6354 14.1872 14.1872 14.4291 14.4731 15.1939 15.1939 k = 0.2326 0.1343 0.0949 ( 8024 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2937 -31.2937 -10.4101 -10.4085 -10.4085 -10.4080 -9.3906 -9.3906 -9.3738 -9.3738 -9.3725 -9.3697 1.5810 1.5810 5.0946 5.0946 5.1309 5.2050 6.1349 6.1349 6.5870 6.5870 6.7821 6.9061 9.2089 9.2089 11.8290 11.8290 12.1574 12.2624 12.6400 12.6400 14.1837 14.1837 14.4012 14.4362 15.1858 15.1858 k = 0.2442 0.1410 0.0997 ( 8024 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2937 -31.2937 -10.4100 -10.4084 -10.4084 -10.4079 -9.3904 -9.3904 -9.3739 -9.3739 -9.3723 -9.3695 1.6297 1.6297 5.0904 5.0904 5.1318 5.2064 6.1377 6.1377 6.5698 6.5698 6.7884 6.9137 9.0381 9.0381 11.7708 11.7708 12.1041 12.2105 12.6448 12.6448 14.1761 14.1761 14.3690 14.3955 15.1769 15.1769 k = 0.2558 0.1477 0.1044 ( 8036 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2937 -31.2937 -10.4100 -10.4084 -10.4084 -10.4079 -9.3902 -9.3902 -9.3739 -9.3739 -9.3722 -9.3693 1.6798 1.6798 5.0864 5.0864 5.1328 5.2075 6.1405 6.1405 6.5521 6.5521 6.7953 6.9213 8.8713 8.8713 11.7136 11.7136 12.0526 12.1600 12.6496 12.6496 14.1650 14.1650 14.3335 14.3522 15.1678 15.1678 k = 0.2674 0.1544 0.1092 ( 8048 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2937 -31.2937 -10.4100 -10.4083 -10.4083 -10.4079 -9.3901 -9.3901 -9.3740 -9.3740 -9.3720 -9.3691 1.7313 1.7313 5.0828 5.0828 5.1339 5.2082 6.1430 6.1430 6.5338 6.5338 6.8029 6.9289 8.7091 8.7091 11.6577 11.6577 12.0029 12.1108 12.6544 12.6544 14.1513 14.1513 14.2958 14.3076 15.1586 15.1586 k = 0.2791 0.1611 0.1139 ( 8045 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2937 -31.2937 -10.4099 -10.4082 -10.4082 -10.4079 -9.3899 -9.3899 -9.3740 -9.3740 -9.3718 -9.3690 1.7839 1.7839 5.0797 5.0797 5.1351 5.2086 6.1450 6.1450 6.5150 6.5150 6.8110 6.9363 8.5519 8.5519 11.6032 11.6032 11.9551 12.0629 12.6590 12.6590 14.1356 14.1356 14.2569 14.2625 15.1498 15.1498 k = 0.2907 0.1678 0.1187 ( 8045 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2937 -31.2937 -10.4099 -10.4081 -10.4081 -10.4078 -9.3898 -9.3898 -9.3741 -9.3741 -9.3716 -9.3688 1.8374 1.8374 5.0772 5.0772 5.1363 5.2087 6.1464 6.1464 6.4957 6.4957 6.8197 6.9437 8.4003 8.4003 11.5502 11.5502 11.9094 12.0164 12.6634 12.6634 14.1185 14.1185 14.2173 14.2177 15.1413 15.1413 k = 0.3023 0.1745 0.1234 ( 8042 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2937 -31.2937 -10.4098 -10.4080 -10.4080 -10.4078 -9.3896 -9.3896 -9.3741 -9.3741 -9.3714 -9.3687 1.8915 1.8915 5.0756 5.0756 5.1376 5.2084 6.1466 6.1466 6.4759 6.4759 6.8289 6.9508 8.2548 8.2548 11.4990 11.4990 11.8657 11.9714 12.6676 12.6676 14.1006 14.1006 14.1737 14.1778 15.1333 15.1333 k = 0.3140 0.1813 0.1282 ( 8045 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2937 -31.2937 -10.4098 -10.4080 -10.4080 -10.4078 -9.3895 -9.3895 -9.3742 -9.3742 -9.3712 -9.3685 1.9461 1.9461 5.0750 5.0750 5.1390 5.2079 6.1452 6.1452 6.4556 6.4556 6.8385 6.9577 8.1160 8.1160 11.4496 11.4496 11.8241 11.9279 12.6716 12.6716 14.0822 14.0822 14.1311 14.1389 15.1257 15.1257 k = 0.3256 0.1880 0.1329 ( 8045 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2937 -31.2937 -10.4097 -10.4079 -10.4079 -10.4078 -9.3893 -9.3893 -9.3742 -9.3742 -9.3710 -9.3684 2.0008 2.0008 5.0755 5.0755 5.1405 5.2070 6.1416 6.1416 6.4352 6.4352 6.8485 6.9642 7.9845 7.9845 11.4022 11.4022 11.7848 11.8859 12.6752 12.6752 14.0638 14.0638 14.0901 14.1009 15.1186 15.1186 k = 0.3372 0.1947 0.1377 ( 8027 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2937 -31.2937 -10.4096 -10.4078 -10.4078 -10.4078 -9.3892 -9.3892 -9.3742 -9.3742 -9.3708 -9.3683 2.0552 2.0552 5.0773 5.0773 5.1421 5.2058 6.1351 6.1351 6.4149 6.4149 6.8589 6.9704 7.8610 7.8610 11.3570 11.3570 11.7478 11.8457 12.6787 12.6787 14.0457 14.0457 14.0512 14.0642 15.1121 15.1121 k = 0.3488 0.2014 0.1424 ( 8033 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2937 -31.2937 -10.4096 -10.4078 -10.4078 -10.4078 -9.3891 -9.3891 -9.3743 -9.3743 -9.3706 -9.3682 2.1091 2.1091 5.0807 5.0807 5.1437 5.2044 6.1247 6.1247 6.3952 6.3952 6.8694 6.9761 7.7462 7.7462 11.3140 11.3140 11.7132 11.8073 12.6818 12.6818 14.0145 14.0282 14.0282 14.0291 15.1060 15.1060 k = 0.3605 0.2081 0.1472 ( 8033 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2937 -31.2937 -10.4095 -10.4079 -10.4077 -10.4077 -9.3890 -9.3890 -9.3743 -9.3743 -9.3704 -9.3682 2.1619 2.1619 5.0857 5.0857 5.1454 5.2028 6.1093 6.1093 6.3768 6.3768 6.8800 6.9814 7.6407 7.6407 11.2736 11.2736 11.6811 11.7707 12.6846 12.6846 13.9801 13.9959 14.0113 14.0113 15.1004 15.1004 k = 0.3721 0.2148 0.1519 ( 8027 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2938 -31.2938 -31.2937 -31.2937 -10.4094 -10.4079 -10.4077 -10.4077 -9.3888 -9.3888 -9.3743 -9.3743 -9.3701 -9.3681 2.2133 2.2133 5.0926 5.0926 5.1472 5.2009 6.0881 6.0881 6.3605 6.3605 6.8907 6.9860 7.5451 7.5451 11.2357 11.2357 11.6515 11.7361 12.6872 12.6872 13.9484 13.9646 13.9954 13.9954 15.0953 15.0953 k = 0.3837 0.2215 0.1567 ( 8033 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4093 -10.4079 -10.4076 -10.4076 -9.3887 -9.3887 -9.3744 -9.3744 -9.3700 -9.3680 2.2628 2.2628 5.1015 5.1015 5.1491 5.1988 6.0605 6.0605 6.3467 6.3467 6.9014 6.9900 7.4597 7.4597 11.2005 11.2005 11.6246 11.7036 12.6895 12.6895 13.9193 13.9356 13.9805 13.9805 15.0907 15.0907 k = 0.3953 0.2283 0.1614 ( 8020 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4093 -10.4080 -10.4076 -10.4076 -9.3886 -9.3886 -9.3744 -9.3744 -9.3697 -9.3680 2.3099 2.3099 5.1125 5.1125 5.1511 5.1965 6.0267 6.0267 6.3356 6.3356 6.9119 6.9934 7.3846 7.3846 11.1683 11.1683 11.6005 11.6733 12.6916 12.6916 13.8929 13.9088 13.9669 13.9669 15.0866 15.0866 k = 0.4070 0.2350 0.1661 ( 8020 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4092 -10.4080 -10.4075 -10.4075 -9.3885 -9.3885 -9.3744 -9.3744 -9.3696 -9.3680 2.3541 2.3541 5.1257 5.1257 5.1531 5.1941 5.9874 5.9874 6.3270 6.3270 6.9221 6.9959 7.3198 7.3198 11.1390 11.1390 11.5792 11.6453 12.6934 12.6934 13.8694 13.8845 13.9544 13.9544 15.0829 15.0829 k = 0.4186 0.2417 0.1709 ( 8029 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4091 -10.4081 -10.4075 -10.4075 -9.3885 -9.3885 -9.3744 -9.3744 -9.3694 -9.3680 2.3948 2.3948 5.1409 5.1409 5.1553 5.1916 5.9440 5.9440 6.3205 6.3205 6.9320 6.9977 7.2649 7.2649 11.1129 11.1129 11.5608 11.6197 12.6950 12.6950 13.8487 13.8627 13.9433 13.9433 15.0796 15.0796 k = 0.4302 0.2484 0.1756 ( 8035 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4090 -10.4081 -10.4074 -10.4074 -9.3884 -9.3884 -9.3745 -9.3745 -9.3692 -9.3680 2.4315 2.4315 5.1575 5.1579 5.1579 5.1890 5.8983 5.8983 6.3158 6.3158 6.9415 6.9986 7.2193 7.2193 11.0900 11.0900 11.5453 11.5967 12.6963 12.6963 13.8309 13.8435 13.9336 13.9336 15.0768 15.0768 k = 0.4419 0.2551 0.1804 ( 8038 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4089 -10.4082 -10.4074 -10.4074 -9.3883 -9.3883 -9.3745 -9.3745 -9.3690 -9.3680 2.4636 2.4636 5.1598 5.1764 5.1764 5.1863 5.8524 5.8524 6.3123 6.3123 6.9505 6.9987 7.1823 7.1823 11.0704 11.0704 11.5329 11.5763 12.6974 12.6974 13.8161 13.8269 13.9254 13.9254 15.0745 15.0745 k = 0.4535 0.2618 0.1851 ( 8026 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4088 -10.4082 -10.4074 -10.4074 -9.3883 -9.3883 -9.3745 -9.3745 -9.3689 -9.3681 2.4907 2.4907 5.1622 5.1836 5.1953 5.1953 5.8087 5.8087 6.3098 6.3098 6.9589 6.9979 7.1533 7.1533 11.0543 11.0543 11.5235 11.5586 12.6983 12.6983 13.8041 13.8131 13.9185 13.9185 15.0725 15.0725 k = 0.4651 0.2685 0.1899 ( 8044 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4088 -10.4083 -10.4074 -10.4074 -9.3883 -9.3883 -9.3745 -9.3745 -9.3687 -9.3681 2.5122 2.5122 5.1647 5.1808 5.2135 5.2135 5.7697 5.7697 6.3080 6.3080 6.9667 6.9961 7.1315 7.1315 11.0417 11.0417 11.5172 11.5438 12.6990 12.6990 13.7951 13.8020 13.9132 13.9132 15.0711 15.0711 k = 0.4767 0.2752 0.1946 ( 8038 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4087 -10.4084 -10.4074 -10.4074 -9.3882 -9.3882 -9.3745 -9.3745 -9.3686 -9.3682 2.5279 2.5279 5.1673 5.1781 5.2290 5.2290 5.7385 5.7385 6.3068 6.3068 6.9737 6.9934 7.1164 7.1164 11.0326 11.0326 11.5140 11.5318 12.6995 12.6995 13.7891 13.7937 13.9094 13.9094 15.0700 15.0700 k = 0.4884 0.2820 0.1994 ( 8044 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4086 -10.4084 -10.4074 -10.4074 -9.3882 -9.3882 -9.3745 -9.3745 -9.3685 -9.3683 2.5375 2.5375 5.1699 5.1753 5.2397 5.2397 5.7181 5.7181 6.3062 6.3062 6.9799 6.9898 7.1075 7.1075 11.0272 11.0272 11.5138 11.5228 12.6998 12.6998 13.7859 13.7882 13.9071 13.9071 15.0694 15.0694 k = 0.5000 0.2887 0.2041 ( 8050 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4085 -10.4085 -10.4074 -10.4074 -9.3882 -9.3882 -9.3745 -9.3745 -9.3684 -9.3684 2.5407 2.5407 5.1726 5.1726 5.2435 5.2435 5.7109 5.7109 6.3060 6.3060 6.9853 6.9853 7.1045 7.1045 11.0254 11.0254 11.5168 11.5168 12.6999 12.6999 13.7856 13.7856 13.9064 13.9064 15.0691 15.0691 k = 0.5000 0.2887 0.2041 ( 8050 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4085 -10.4085 -10.4074 -10.4074 -9.3882 -9.3882 -9.3745 -9.3745 -9.3684 -9.3684 2.5407 2.5407 5.1726 5.1726 5.2435 5.2435 5.7109 5.7109 6.3060 6.3060 6.9853 6.9853 7.1045 7.1045 11.0254 11.0254 11.5168 11.5168 12.6999 12.6999 13.7856 13.7856 13.9064 13.9064 15.0691 15.0691 k = 0.5042 0.2766 0.2109 ( 8048 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4085 -10.4085 -10.4074 -10.4073 -9.3882 -9.3882 -9.3746 -9.3745 -9.3684 -9.3684 2.5418 2.5418 5.1713 5.1713 5.2434 5.2467 5.7098 5.7133 6.3051 6.3071 6.9854 6.9854 7.1000 7.1086 11.0069 11.0193 11.5004 11.5010 12.7148 12.7214 13.7856 13.7858 13.9074 13.9159 15.0743 15.0888 k = 0.5083 0.2646 0.2177 ( 8044 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4085 -10.4085 -10.4073 -10.4073 -9.3883 -9.3881 -9.3746 -9.3744 -9.3684 -9.3684 2.5452 2.5453 5.1676 5.1679 5.2458 5.2528 5.7099 5.7168 6.3045 6.3087 6.9859 6.9859 7.0950 7.1123 10.9631 10.9890 11.4546 11.4586 12.7627 12.7738 13.7847 13.7859 13.9216 13.9369 15.1040 15.1323 k = 0.5125 0.2526 0.2245 ( 8048 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4086 -10.4086 -10.4073 -10.4073 -9.3883 -9.3880 -9.3746 -9.3744 -9.3684 -9.3684 2.5508 2.5510 5.1620 5.1630 5.2501 5.2611 5.7112 5.7215 6.3041 6.3106 6.9866 6.9867 7.0895 7.1157 10.8943 10.9347 11.3884 11.3994 12.8332 12.8462 13.7828 13.7861 13.9519 13.9717 15.1567 15.1975 k = 0.5167 0.2406 0.2313 ( 8048 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4086 -10.4086 -10.4073 -10.4072 -9.3883 -9.3880 -9.3746 -9.3743 -9.3684 -9.3684 2.5587 2.5589 5.1554 5.1574 5.2555 5.2712 5.7136 5.7273 6.3039 6.3130 6.9876 6.9877 7.0833 7.1189 10.8019 10.8571 11.3117 11.3321 12.9138 12.9261 13.7845 13.7899 13.9986 14.0209 15.2303 15.2820 k = 0.5208 0.2285 0.2381 ( 8057 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4086 -10.4086 -10.4073 -10.4072 -9.3884 -9.3879 -9.3746 -9.3743 -9.3684 -9.3684 2.5688 2.5690 5.1479 5.1518 5.2614 5.2825 5.7171 5.7342 6.3040 6.3159 6.9887 6.9891 7.0766 7.1221 10.6895 10.7581 11.2313 11.2612 12.9919 13.0017 13.7969 13.8040 14.0601 14.0839 15.3221 15.3831 k = 0.5250 0.2165 0.2449 ( 8061 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4087 -10.4087 -10.4072 -10.4071 -9.3884 -9.3878 -9.3746 -9.3742 -9.3685 -9.3684 2.5810 2.5812 5.1401 5.1463 5.2676 5.2948 5.7215 5.7421 6.3043 6.3193 6.9900 6.9907 7.0694 7.1254 10.5617 10.6413 11.1504 11.1887 13.0566 13.0630 13.8278 13.8362 14.1346 14.1592 15.4299 15.4985 k = 0.5292 0.2045 0.2518 ( 8057 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4087 -10.4087 -10.4072 -10.4070 -9.3884 -9.3878 -9.3746 -9.3741 -9.3685 -9.3685 2.5954 2.5956 5.1321 5.1412 5.2738 5.3078 5.7268 5.7509 6.3049 6.3234 6.9913 6.9923 7.0616 7.1290 10.4229 10.5111 11.0698 11.1147 13.1003 13.1033 13.8823 13.8924 14.2204 14.2451 15.5512 15.6259 k = 0.5333 0.1925 0.2586 ( 8057 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4088 -10.4087 -10.4071 -10.4069 -9.3883 -9.3877 -9.3746 -9.3740 -9.3686 -9.3685 2.6117 2.6119 5.1240 5.1368 5.2799 5.3215 5.7327 5.7605 6.3059 6.3282 6.9924 6.9939 7.0536 7.1332 10.2767 10.3715 10.9892 11.0393 13.1212 13.1217 13.9606 13.9734 14.3161 14.3403 15.6840 15.7629 k = 0.5375 0.1804 0.2654 ( 8051 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4088 -10.4088 -10.4071 -10.4068 -9.3883 -9.3876 -9.3746 -9.3739 -9.3686 -9.3685 2.6301 2.6302 5.1161 5.1330 5.2858 5.3357 5.7390 5.7709 6.3073 6.3337 6.9932 6.9950 7.0458 7.1380 10.1261 10.2260 10.9082 10.9624 13.1218 13.1228 14.0584 14.0752 14.4204 14.4435 15.8262 15.9073 k = 0.5417 0.1684 0.2722 ( 8051 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4089 -10.4088 -10.4071 -10.4068 -9.3883 -9.3875 -9.3746 -9.3738 -9.3687 -9.3685 2.6503 2.6504 5.1082 5.1301 5.2915 5.3505 5.7455 5.7820 6.3092 6.3399 6.9937 6.9946 7.0391 7.1438 9.9732 10.0770 10.8267 10.8843 13.1090 13.1104 14.1700 14.1920 14.5321 14.5536 15.9752 16.0558 k = 0.5458 0.1564 0.2790 ( 8051 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4089 -10.4088 -10.4070 -10.4067 -9.3883 -9.3874 -9.3746 -9.3737 -9.3688 -9.3685 2.6723 2.6723 5.1006 5.1280 5.2969 5.3656 5.7519 5.7938 6.3118 6.3468 6.9912 6.9934 7.0350 7.1509 9.8196 9.9264 10.7447 10.8051 13.0879 13.0891 14.2906 14.3186 14.6503 14.6695 16.1276 16.2039 k = 0.5500 0.1443 0.2858 ( 8049 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4090 -10.4089 -10.4070 -10.4066 -9.3883 -9.3874 -9.3746 -9.3736 -9.3688 -9.3685 2.6958 2.6959 5.0933 5.1269 5.3022 5.3812 5.7580 5.8061 6.3153 6.3544 6.9838 6.9925 7.0345 7.1593 9.6666 9.7758 10.6625 10.7253 13.0617 13.0623 14.4165 14.4513 14.7740 14.7903 16.2778 16.3443 k = 0.5542 0.1323 0.2926 ( 8046 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4090 -10.4089 -10.4069 -10.4065 -9.3882 -9.3873 -9.3746 -9.3735 -9.3689 -9.3686 2.7208 2.7210 5.0862 5.1269 5.3071 5.3971 5.7634 5.8190 6.3198 6.3625 6.9729 6.9906 7.0373 7.1693 9.5155 9.6262 10.5802 10.6450 13.0325 13.0328 14.5450 14.5874 14.9024 14.9151 16.4154 16.4639 k = 0.5583 0.1203 0.2994 ( 8048 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4091 -10.4089 -10.4069 -10.4064 -9.3882 -9.3872 -9.3746 -9.3733 -9.3690 -9.3686 2.7471 2.7475 5.0794 5.1279 5.3118 5.4135 5.7677 5.8323 6.3254 6.3712 6.9593 6.9878 7.0423 7.1808 9.3671 9.4787 10.4981 10.5648 13.0010 13.0025 14.6739 14.7246 15.0344 15.0429 16.5205 16.5437 k = 0.5625 0.1083 0.3062 ( 8047 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4091 -10.4089 -10.4069 -10.4063 -9.3882 -9.3871 -9.3746 -9.3732 -9.3691 -9.3686 2.7746 2.7751 5.0730 5.1300 5.3162 5.4302 5.7708 5.8460 6.3325 6.3802 6.9438 6.9841 7.0489 7.1940 9.2223 9.3341 10.4165 10.4849 12.9691 12.9718 14.8010 14.8607 15.1694 15.1728 16.5670 16.5686 k = 0.5667 0.0962 0.3130 ( 8041 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4091 -10.4089 -10.4069 -10.4063 -9.3881 -9.3871 -9.3746 -9.3731 -9.3692 -9.3685 2.8031 2.8038 5.0668 5.1333 5.3204 5.4473 5.7723 5.8600 6.3411 6.3893 6.9267 6.9793 7.0569 7.2088 9.0821 9.1932 10.3357 10.4056 12.9373 12.9414 14.9237 14.9932 15.3040 15.3065 16.5465 16.5522 k = 0.5708 0.0842 0.3198 ( 8043 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4092 -10.4089 -10.4068 -10.4062 -9.3881 -9.3870 -9.3746 -9.3729 -9.3693 -9.3685 2.8323 2.8332 5.0610 5.1377 5.3242 5.4649 5.7720 5.8742 6.3513 6.3984 6.9083 6.9737 7.0659 7.2249 8.9471 9.0568 10.2559 10.3271 12.9062 12.9116 15.0382 15.1179 15.4356 15.4448 16.5012 16.5044 k = 0.5750 0.0722 0.3266 ( 8043 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4092 -10.4089 -10.4068 -10.4061 -9.3880 -9.3870 -9.3746 -9.3727 -9.3694 -9.3685 2.8620 2.8632 5.0554 5.1434 5.3278 5.4829 5.7698 5.8886 6.3633 6.4069 6.8888 6.9672 7.0758 7.2422 8.8184 8.9257 10.1773 10.2498 12.8758 12.8827 15.1389 15.2280 15.5674 15.5836 16.4531 16.4548 k = 0.5792 0.0601 0.3334 ( 8040 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4092 -10.4089 -10.4068 -10.4060 -9.3880 -9.3869 -9.3746 -9.3726 -9.3695 -9.3685 2.8920 2.8935 5.0501 5.1502 5.3310 5.5014 5.7657 5.9031 6.3770 6.4146 6.8685 6.9599 7.0864 7.2604 8.6967 8.8007 10.1003 10.1739 12.8465 12.8549 15.2182 15.3133 15.7000 15.7221 16.4194 16.4242 k = 0.5833 0.0481 0.3402 ( 8035 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4092 -10.4089 -10.4068 -10.4060 -9.3879 -9.3869 -9.3746 -9.3724 -9.3696 -9.3685 2.9220 2.9238 5.0451 5.1581 5.3337 5.5205 5.7596 5.9174 6.3925 6.4209 6.8479 6.9519 7.0976 7.2789 8.5829 8.6827 10.0250 10.0996 12.8184 12.8282 15.2675 15.3624 15.8349 15.8599 16.4182 16.4227 k = 0.5875 0.0361 0.3470 ( 8042 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4093 -10.4089 -10.4068 -10.4059 -9.3879 -9.3868 -9.3746 -9.3723 -9.3697 -9.3684 2.9517 2.9538 5.0402 5.1670 5.3360 5.5401 5.7518 5.9315 6.4097 6.4252 6.8274 6.9434 7.1089 7.2973 8.4781 8.5727 9.9517 10.0272 12.7915 12.8028 15.2811 15.3688 15.9739 15.9973 16.4560 16.4574 k = 0.5917 0.0241 0.3538 ( 8050 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4093 -10.4089 -10.4068 -10.4059 -9.3879 -9.3868 -9.3746 -9.3721 -9.3699 -9.3684 2.9808 2.9832 5.0354 5.1767 5.3376 5.5603 5.7427 5.9450 6.4270 6.4285 6.8079 6.9344 7.1202 7.3148 8.3832 8.4719 9.8806 9.9568 12.7657 12.7787 15.2600 15.3363 16.1178 16.1352 16.5272 16.5290 k = 0.5958 0.0120 0.3606 ( 8060 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4093 -10.4089 -10.4069 -10.4058 -9.3878 -9.3868 -9.3746 -9.3719 -9.3700 -9.3684 3.0089 3.0117 5.0307 5.1870 5.3385 5.5809 5.7328 5.9577 6.4259 6.4486 6.7902 6.9250 7.1309 7.3303 8.2990 8.3815 9.8118 9.8886 12.7412 12.7558 15.2108 15.2755 16.2657 16.2739 16.6244 16.6267 k = 0.6000-0.0000 0.3674 ( 8068 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4089 -10.4069 -10.4058 -9.3878 -9.3868 -9.3746 -9.3718 -9.3701 -9.3683 3.0357 3.0388 5.0260 5.1973 5.3386 5.6018 5.7228 5.9689 6.4216 6.4700 6.7752 6.9155 7.1406 7.3427 8.2266 8.3031 9.7457 9.8229 12.7179 12.7341 15.1420 15.1964 16.4134 16.4165 16.7389 16.7395 k = 0.6042-0.0120 0.3742 ( 8058 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4088 -10.4069 -10.4057 -9.3878 -9.3868 -9.3746 -9.3717 -9.3701 -9.3683 3.0608 3.0642 5.0212 5.2070 5.3377 5.6229 5.7137 5.9783 6.4145 6.4923 6.7636 6.9060 7.1487 7.3506 8.1665 8.2383 9.6823 9.7598 12.6958 12.7137 15.0605 15.1064 16.5524 16.5686 16.8572 16.8646 k = 0.6083-0.0241 0.3810 ( 8056 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4088 -10.4069 -10.4057 -9.3877 -9.3868 -9.3746 -9.3716 -9.3702 -9.3683 3.0837 3.0875 5.0162 5.2150 5.3361 5.6436 5.7065 5.9851 6.4059 6.5152 6.7557 6.8969 7.1547 7.3528 8.1195 8.1885 9.6221 9.6996 12.6748 12.6944 14.9712 15.0102 16.6889 16.7202 16.9746 16.9936 k = 0.6125-0.0361 0.3878 ( 8057 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4088 -10.4069 -10.4057 -9.3877 -9.3868 -9.3746 -9.3715 -9.3702 -9.3682 3.1042 3.1083 5.0110 5.2200 5.3343 5.6632 5.7025 5.9886 6.3978 6.5385 6.7515 6.8885 7.1584 7.3482 8.0857 8.1548 9.5651 9.6424 12.6548 12.6762 14.8774 14.9108 16.8196 16.8687 17.0851 17.1209 k = 0.6167-0.0481 0.3946 ( 8069 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4088 -10.4070 -10.4057 -9.3877 -9.3868 -9.3746 -9.3715 -9.3702 -9.3682 3.1217 3.1261 5.0055 5.2203 5.3331 5.6806 5.7028 5.9889 6.3924 6.5617 6.7505 6.8813 7.1595 7.3366 8.0649 8.1372 9.5115 9.5885 12.6359 12.6591 14.7813 14.8102 16.9403 17.0098 17.1834 17.2414 k = 0.6208-0.0601 0.4014 ( 8061 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4087 -10.4070 -10.4057 -9.3877 -9.3868 -9.3746 -9.3715 -9.3701 -9.3682 3.1358 3.1405 4.9995 5.2144 5.3334 5.6944 5.7082 5.9864 6.3921 6.5841 6.7520 6.8760 7.1582 7.3188 8.0568 8.1351 9.4617 9.5381 12.6178 12.6431 14.6844 14.7095 17.0456 17.1343 17.2690 17.3495 k = 0.6250-0.0722 0.4082 ( 8072 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4087 -10.4071 -10.4057 -9.3877 -9.3868 -9.3746 -9.3715 -9.3701 -9.3682 3.1463 3.1512 4.9932 5.2018 5.3357 5.7024 5.7193 5.9831 6.3983 6.6051 6.7557 6.8736 7.1549 7.2961 8.0604 8.1468 9.4159 9.4913 12.6007 12.6280 14.5876 14.6098 17.1300 17.2244 17.3530 17.4403 k = 0.6250-0.0722 0.4082 ( 8072 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4087 -10.4071 -10.4057 -9.3877 -9.3868 -9.3746 -9.3715 -9.3701 -9.3682 3.1463 3.1512 4.9932 5.2018 5.3357 5.7024 5.7193 5.9831 6.3983 6.6051 6.7557 6.8736 7.1549 7.2961 8.0604 8.1468 9.4159 9.4913 12.6007 12.6280 14.5876 14.6098 17.1300 17.2244 17.3530 17.4403 k = 0.6181-0.0682 0.4196 ( 8064 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4087 -10.4071 -10.4057 -9.3877 -9.3868 -9.3746 -9.3715 -9.3700 -9.3682 3.1466 3.1516 4.9941 5.2026 5.3357 5.7014 5.7172 5.9865 6.3959 6.6058 6.7561 6.8739 7.1561 7.2968 8.0581 8.1450 9.4110 9.4870 12.6101 12.6389 14.5880 14.6102 17.0500 17.1558 17.4061 17.5305 k = 0.6111-0.0642 0.4309 ( 8070 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4087 -10.4071 -10.4056 -9.3877 -9.3868 -9.3746 -9.3715 -9.3701 -9.3682 3.1477 3.1529 4.9967 5.2050 5.3355 5.6975 5.7122 5.9962 6.3892 6.6076 6.7572 6.8750 7.1594 7.2988 8.0513 8.1396 9.3968 9.4743 12.6384 12.6712 14.5891 14.6116 16.9150 17.0189 17.5100 17.6741 k = 0.6042-0.0601 0.4423 ( 8068 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4087 -10.4071 -10.4056 -9.3877 -9.3868 -9.3746 -9.3715 -9.3701 -9.3682 3.1495 3.1551 5.0012 5.2089 5.3352 5.6885 5.7078 6.0112 6.3787 6.6099 6.7592 6.8768 7.1650 7.3023 8.0398 8.1305 9.3744 9.4538 12.6853 12.7232 14.5909 14.6139 16.7708 16.8718 17.5686 17.7318 k = 0.5972-0.0561 0.4536 ( 8070 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4087 -10.4071 -10.4056 -9.3877 -9.3868 -9.3746 -9.3714 -9.3701 -9.3683 3.1520 3.1581 5.0075 5.2143 5.3347 5.6748 5.7045 6.0300 6.3651 6.6119 6.7619 6.8794 7.1729 7.3072 8.0236 8.1176 9.3454 9.4267 12.7502 12.7933 14.5932 14.6171 16.6242 16.7232 17.5277 17.6084 k = 0.5903-0.0521 0.4649 ( 8071 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4087 -10.4071 -10.4056 -9.3877 -9.3868 -9.3746 -9.3714 -9.3701 -9.3683 3.1551 3.1617 5.0155 5.2211 5.3341 5.6587 5.7015 6.0514 6.3494 6.6131 6.7653 6.8828 7.1829 7.3136 8.0028 8.1009 9.3115 9.3945 12.8317 12.8797 14.5961 14.6209 16.4771 16.5751 17.4308 17.4832 k = 0.5833-0.0481 0.4763 ( 8066 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4087 -10.4072 -10.4055 -9.3876 -9.3868 -9.3746 -9.3713 -9.3701 -9.3684 3.1588 3.1661 5.0252 5.2291 5.3334 5.6414 5.6981 6.0744 6.3322 6.6131 6.7691 6.8870 7.1951 7.3214 7.9772 8.0804 9.2749 9.3586 12.9283 12.9803 14.5994 14.6255 16.3305 16.4281 17.3173 17.3589 k = 0.5764-0.0441 0.4876 ( 8062 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4087 -10.4072 -10.4055 -9.3876 -9.3868 -9.3746 -9.3712 -9.3701 -9.3684 3.1631 3.1709 5.0367 5.2382 5.3324 5.6239 5.6942 6.0981 6.3140 6.6117 6.7730 6.8919 7.2094 7.3307 7.9470 8.0561 9.2372 9.3209 13.0384 13.0934 14.6029 14.6306 16.1848 16.2828 17.2001 17.2370 k = 0.5694-0.0401 0.4990 ( 8059 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4087 -10.4072 -10.4054 -9.3876 -9.3868 -9.3746 -9.3711 -9.3701 -9.3685 3.1678 3.1762 5.0498 5.2481 5.3311 5.6068 5.6897 6.1219 6.2954 6.6091 6.7770 6.8974 7.2258 7.3416 7.9124 8.0281 9.2001 9.2828 13.1602 13.2173 14.6065 14.6360 16.0405 16.1392 17.0838 17.1186 k = 0.5625-0.0361 0.5103 ( 8057 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4086 -10.4072 -10.4054 -9.3875 -9.3868 -9.3746 -9.3711 -9.3701 -9.3686 3.1728 3.1818 5.0644 5.2586 5.3295 5.5905 5.6846 6.1449 6.2768 6.6056 6.7808 6.9031 7.2442 7.3540 7.8738 7.9966 9.1650 9.2458 13.2921 13.3503 14.6097 14.6415 15.8978 15.9976 16.9708 17.0046 k = 0.5556-0.0321 0.5217 ( 8055 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4086 -10.4073 -10.4053 -9.3875 -9.3868 -9.3746 -9.3710 -9.3701 -9.3687 3.1781 3.1876 5.0806 5.2694 5.3275 5.5755 5.6790 6.1666 6.2586 6.6015 6.7843 6.9089 7.2644 7.3681 7.8320 7.9621 9.1328 9.2110 13.4323 13.4906 14.6124 14.6469 15.7570 15.8582 16.8627 16.8958 k = 0.5486-0.0281 0.5330 ( 8047 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4086 -10.4073 -10.4053 -9.3875 -9.3868 -9.3746 -9.3709 -9.3700 -9.3688 3.1834 3.1935 5.0979 5.2799 5.3251 5.5618 5.6730 6.1858 6.2417 6.5972 6.7875 6.9145 7.2864 7.3838 7.7876 7.9251 9.1042 9.1793 13.5794 13.6368 14.6141 14.6519 15.6184 15.7213 16.7608 16.7933 k = 0.5417-0.0241 0.5443 ( 8053 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4094 -10.4086 -10.4073 -10.4053 -9.3874 -9.3868 -9.3746 -9.3708 -9.3700 -9.3689 3.1887 3.1992 5.1162 5.2896 5.3224 5.5497 5.6669 6.1999 6.2284 6.5930 6.7903 6.9197 7.3097 7.4012 7.7417 7.8864 9.0795 9.1514 13.7317 13.7871 14.6143 14.6561 15.4821 15.5871 16.6666 16.6981 k = 0.5347-0.0200 0.5557 ( 8057 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4094 -10.4086 -10.4073 -10.4052 -9.3874 -9.3868 -9.3746 -9.3707 -9.3700 -9.3691 3.1937 3.2046 5.1350 5.2970 5.3207 5.5388 5.6612 6.1994 6.2281 6.5894 6.7929 6.9244 7.3343 7.4201 7.6955 7.8469 9.0590 9.1277 13.8874 13.9396 14.6124 14.6591 15.3486 15.4561 16.5815 16.6114 k = 0.5278-0.0160 0.5670 ( 8059 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4094 -10.4086 -10.4073 -10.4052 -9.3874 -9.3868 -9.3746 -9.3706 -9.3700 -9.3692 3.1982 3.2095 5.1537 5.2993 5.3227 5.5290 5.6563 6.1886 6.2367 6.5864 6.7951 6.9283 7.3599 7.4402 7.6501 7.8081 9.0426 9.1083 14.0443 14.0917 14.6079 14.6608 15.2184 15.3290 16.5073 16.5347 k = 0.5208-0.0120 0.5784 ( 8061 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4094 -10.4086 -10.4073 -10.4052 -9.3874 -9.3868 -9.3746 -9.3705 -9.3699 -9.3693 3.2022 3.2137 5.1713 5.2963 5.3288 5.5198 5.6528 6.1777 6.2444 6.5844 6.7971 6.9313 7.3860 7.4605 7.6069 7.7717 9.0301 9.0935 14.1996 14.2396 14.5999 14.6616 15.0927 15.2072 16.4461 16.4697 k = 0.5139-0.0080 0.5897 ( 8052 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4094 -10.4086 -10.4073 -10.4052 -9.3874 -9.3868 -9.3746 -9.3705 -9.3699 -9.3694 3.2053 3.2170 5.1863 5.2914 5.3361 5.5112 5.6508 6.1689 6.2494 6.5832 6.7986 6.9335 7.4123 7.4792 7.5677 7.7404 9.0215 9.0830 14.3481 14.3754 14.5876 14.6635 14.9740 15.0942 16.4003 16.4184 k = 0.5069-0.0040 0.6010 ( 8056 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4094 -10.4086 -10.4073 -10.4052 -9.3874 -9.3868 -9.3746 -9.3704 -9.3699 -9.3695 3.2073 3.2192 5.1966 5.2872 5.3422 5.5042 5.6502 6.1632 6.2518 6.5826 6.7996 6.9346 7.4365 7.4922 7.5363 7.7182 9.0165 9.0769 14.4743 14.4835 14.5708 14.6734 14.8713 14.9998 16.3728 16.3834 k = 0.5000-0.0000 0.6124 ( 8088 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4094 -10.4086 -10.4073 -10.4052 -9.3874 -9.3868 -9.3746 -9.3704 -9.3699 -9.3695 3.2080 3.2199 5.2003 5.2857 5.3448 5.5012 5.6502 6.1612 6.2524 6.5825 6.8000 6.9350 7.4492 7.4950 7.5234 7.7099 9.0149 9.0749 14.5193 14.5388 14.5621 14.6882 14.8202 14.9563 16.3652 16.3687 k = 0.5000-0.0000 0.6124 ( 8088 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4094 -10.4086 -10.4073 -10.4052 -9.3874 -9.3868 -9.3746 -9.3704 -9.3699 -9.3695 3.2080 3.2199 5.2003 5.2857 5.3448 5.5012 5.6502 6.1612 6.2524 6.5825 6.8000 6.9350 7.4492 7.4950 7.5234 7.7099 9.0149 9.0749 14.5193 14.5388 14.5621 14.6882 14.8202 14.9563 16.3652 16.3687 k = 0.5000 0.0082 0.6007 ( 8060 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4094 -10.4086 -10.4073 -10.4052 -9.3874 -9.3868 -9.3746 -9.3704 -9.3699 -9.3695 3.2064 3.2182 5.1978 5.2853 5.3447 5.5038 5.6480 6.1628 6.2530 6.5818 6.7983 6.9344 7.4395 7.5030 7.5273 7.7154 9.0193 9.0800 14.4798 14.5167 14.5916 14.7004 14.8312 14.9598 16.3653 16.3817 k = 0.5000 0.0165 0.5890 ( 8046 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4094 -10.4086 -10.4073 -10.4052 -9.3874 -9.3867 -9.3746 -9.3704 -9.3699 -9.3694 3.2015 3.2131 5.1908 5.2842 5.3442 5.5114 5.6418 6.1668 6.2551 6.5799 6.7931 6.9330 7.4196 7.5098 7.5465 7.7319 9.0323 9.0952 14.4219 14.4666 14.6180 14.7175 14.8661 14.9737 16.3770 16.4086 k = 0.5000 0.0247 0.5774 ( 8050 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4094 -10.4086 -10.4073 -10.4052 -9.3874 -9.3867 -9.3746 -9.3705 -9.3699 -9.3693 3.1934 3.2047 5.1804 5.2822 5.3429 5.5233 5.6325 6.1708 6.2596 6.5775 6.7844 6.9317 7.3961 7.5068 7.5831 7.7590 9.0538 9.1202 14.3619 14.4081 14.6191 14.7247 14.9204 15.0054 16.4013 16.4469 k = 0.5000 0.0330 0.5657 ( 8052 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4094 -10.4087 -10.4073 -10.4052 -9.3874 -9.3867 -9.3746 -9.3706 -9.3700 -9.3693 3.1822 3.1931 5.1679 5.2792 5.3404 5.5386 5.6211 6.1719 6.2674 6.5756 6.7728 6.9314 7.3709 7.4976 7.6313 7.7959 9.0835 9.1544 14.3020 14.3474 14.5979 14.7174 14.9856 15.0585 16.4370 16.4949 k = 0.5000 0.0412 0.5541 ( 8054 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4094 -10.4087 -10.4072 -10.4053 -9.3874 -9.3867 -9.3746 -9.3707 -9.3699 -9.3692 3.1680 3.1784 5.1543 5.2750 5.3370 5.5560 5.6092 6.1685 6.2780 6.5750 6.7592 6.9324 7.3449 7.4838 7.6891 7.8419 9.1210 9.1972 14.2432 14.2868 14.5626 14.6951 15.0582 15.1282 16.4827 16.5511 k = 0.5000 0.0495 0.5424 ( 8056 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4094 -10.4087 -10.4072 -10.4053 -9.3875 -9.3867 -9.3746 -9.3709 -9.3699 -9.3691 3.1511 3.1610 5.1406 5.2693 5.3330 5.5723 5.5996 6.1603 6.2895 6.5764 6.7450 6.9349 7.3187 7.4665 7.7551 7.8963 9.1657 9.2477 14.1857 14.2273 14.5183 14.6616 15.1368 15.2082 16.5364 16.6136 k = 0.5000 0.0577 0.5307 ( 8054 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4088 -10.4072 -10.4053 -9.3875 -9.3867 -9.3746 -9.3710 -9.3699 -9.3691 3.1317 3.1409 5.1273 5.2620 5.3290 5.5748 5.6048 6.1479 6.2999 6.5792 6.7323 6.9384 7.2925 7.4466 7.8284 7.9590 9.2171 9.3054 14.1299 14.1692 14.4682 14.6202 15.2204 15.2949 16.5963 16.6809 k = 0.5000 0.0660 0.5191 ( 8056 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4088 -10.4071 -10.4054 -9.3875 -9.3867 -9.3746 -9.3712 -9.3698 -9.3690 3.1100 3.1185 5.1149 5.2531 5.3253 5.5652 5.6227 6.1321 6.3080 6.5816 6.7237 6.9429 7.2669 7.4249 7.9080 8.0299 9.2748 9.3694 14.0758 14.1129 14.4143 14.5737 15.3079 15.3863 16.6600 16.7507 k = 0.5000 0.0742 0.5074 ( 8048 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4088 -10.4071 -10.4054 -9.3876 -9.3868 -9.3746 -9.3713 -9.3698 -9.3690 3.0862 3.0940 5.1037 5.2430 5.3222 5.5540 5.6423 6.1134 6.3134 6.5804 6.7223 6.9479 7.2419 7.4022 7.9934 8.1088 9.3382 9.4391 14.0234 14.0582 14.3579 14.5238 15.3984 15.4812 16.7244 16.8207 k = 0.5000 0.0825 0.4957 ( 8056 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4089 -10.4071 -10.4055 -9.3876 -9.3868 -9.3746 -9.3715 -9.3697 -9.3689 3.0607 3.0677 5.0938 5.2320 5.3195 5.5428 5.6615 6.0925 6.3166 6.5734 6.7295 6.9533 7.2178 7.3790 8.0840 8.1957 9.4067 9.5138 13.9728 14.0053 14.3003 14.4720 15.4913 15.5789 16.7846 16.8871 k = 0.5000 0.0907 0.4841 ( 8056 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4089 -10.4070 -10.4056 -9.3877 -9.3868 -9.3746 -9.3717 -9.3697 -9.3689 3.0337 3.0400 5.0853 5.2206 5.3172 5.5318 5.6795 6.0699 6.3179 6.5608 6.7443 6.9589 7.1949 7.3557 8.1799 8.2901 9.4799 9.5930 13.9239 13.9541 14.2422 14.4193 15.5855 15.6788 16.8320 16.9442 k = 0.5000 0.0990 0.4724 ( 8052 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4089 -10.4070 -10.4056 -9.3877 -9.3868 -9.3746 -9.3719 -9.3696 -9.3689 3.0055 3.0111 5.0784 5.2093 5.3152 5.5209 5.6961 6.0462 6.3181 6.5444 6.7639 6.9647 7.1731 7.3328 8.2808 8.3917 9.5573 9.6761 13.8765 13.9044 14.1846 14.3667 15.6801 15.7801 16.8505 16.9822 k = 0.5000 0.1072 0.4607 ( 8066 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4090 -10.4070 -10.4057 -9.3878 -9.3868 -9.3746 -9.3721 -9.3695 -9.3688 2.9765 2.9813 5.0729 5.1983 5.3134 5.5100 5.7110 6.0219 6.3175 6.5260 6.7861 6.9705 7.1526 7.3105 8.3869 8.4997 9.6384 9.7627 13.8307 13.8562 14.1280 14.3147 15.7731 15.8814 16.8183 16.9839 k = 0.5000 0.1155 0.4491 ( 8060 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4092 -10.4090 -10.4070 -10.4058 -9.3878 -9.3869 -9.3746 -9.3722 -9.3695 -9.3688 2.9468 2.9510 5.0690 5.1880 5.3117 5.4989 5.7240 5.9974 6.3164 6.5065 6.8094 6.9762 7.1335 7.2891 8.4982 8.6138 9.7229 9.8522 13.7864 13.8092 14.0731 14.2641 15.8613 15.9804 16.7287 16.9287 k = 0.5000 0.1237 0.4374 ( 8050 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4092 -10.4090 -10.4069 -10.4059 -9.3879 -9.3869 -9.3746 -9.3724 -9.3694 -9.3688 2.9168 2.9204 5.0664 5.1784 5.3100 5.4875 5.7350 5.9730 6.3151 6.4869 6.8326 6.9817 7.1158 7.2688 8.6145 8.7332 9.8103 9.9441 13.7433 13.7633 14.0204 14.2153 15.9381 16.0715 16.6036 16.8193 k = 0.5000 0.1320 0.4257 ( 8050 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4092 -10.4090 -10.4069 -10.4059 -9.3879 -9.3869 -9.3746 -9.3726 -9.3693 -9.3688 2.8867 2.8897 5.0653 5.1698 5.3083 5.4758 5.7440 5.9492 6.3137 6.4676 6.8552 6.9871 7.0996 7.2497 8.7359 8.8575 9.9003 10.0381 13.7014 13.7182 13.9704 14.1687 15.9878 16.1378 16.4831 16.6869 k = 0.5000 0.1402 0.4141 ( 8052 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4091 -10.4090 -10.4069 -10.4060 -9.3880 -9.3870 -9.3746 -9.3727 -9.3692 -9.3687 2.8567 2.8593 5.0654 5.1622 5.3064 5.4636 5.7508 5.9261 6.3124 6.4489 6.8767 6.9923 7.0847 7.2319 8.8619 8.9863 9.9923 10.1337 13.6605 13.6738 13.9236 14.1247 15.9747 16.1359 16.4323 16.5712 k = 0.5000 0.1485 0.4024 ( 8052 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4091 -10.4090 -10.4069 -10.4061 -9.3881 -9.3870 -9.3746 -9.3729 -9.3692 -9.3687 2.8272 2.8293 5.0668 5.1557 5.3045 5.4509 5.7556 5.9040 6.3111 6.4311 6.8969 6.9973 7.0711 7.2156 8.9924 9.1191 10.0861 10.2303 13.6203 13.6299 13.8805 14.0838 15.8702 16.0513 16.4610 16.5099 k = 0.5000 0.1567 0.3908 ( 8050 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4091 -10.4090 -10.4069 -10.4062 -9.3881 -9.3871 -9.3746 -9.3731 -9.3691 -9.3687 2.7983 2.8000 5.0694 5.1502 5.3023 5.4378 5.7584 5.8829 6.3099 6.4145 6.9155 7.0021 7.0589 7.2007 9.1270 9.2554 10.1812 10.3276 13.5802 13.5867 13.8414 14.0460 15.7100 15.9116 16.4848 16.5113 k = 0.5000 0.1650 0.3791 ( 8058 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4090 -10.4090 -10.4070 -10.4063 -9.3881 -9.3872 -9.3746 -9.3732 -9.3690 -9.3687 2.7702 2.7715 5.0730 5.1458 5.3000 5.4241 5.7594 5.8631 6.3089 6.3991 6.9325 7.0068 7.0479 7.1874 9.2653 9.3948 10.2773 10.4249 13.5386 13.5454 13.8065 14.0116 15.5297 15.7431 16.4664 16.5255 k = 0.5000 0.1732 0.3674 ( 8050 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4090 -10.4090 -10.4070 -10.4064 -9.3882 -9.3872 -9.3746 -9.3734 -9.3689 -9.3686 2.7431 2.7441 5.0776 5.1425 5.2974 5.4100 5.7586 5.8446 6.3079 6.3851 6.9475 7.0116 7.0381 7.1756 9.4070 9.5369 10.3738 10.5218 13.4949 13.5061 13.7762 13.9809 15.3429 15.5628 16.4113 16.4951 k = 0.5000 0.1815 0.3558 ( 8052 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4090 -10.4089 -10.4070 -10.4065 -9.3882 -9.3873 -9.3746 -9.3735 -9.3689 -9.3686 2.7172 2.7180 5.0831 5.1402 5.2946 5.3956 5.7563 5.8274 6.3071 6.3725 6.9602 7.0165 7.0296 7.1653 9.5514 9.6809 10.4705 10.6177 13.4499 13.4672 13.7505 13.9539 15.1553 15.3790 16.3175 16.4169 k = 0.5000 0.1897 0.3441 ( 8044 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4089 -10.4089 -10.4070 -10.4066 -9.3883 -9.3874 -9.3746 -9.3736 -9.3688 -9.3686 2.6926 2.6932 5.0894 5.1389 5.2914 5.3810 5.7528 5.8115 6.3064 6.3612 6.9705 7.0195 7.0248 7.1564 9.6980 9.8263 10.5669 10.7118 13.4037 13.4277 13.7297 13.9306 14.9702 15.1959 16.1976 16.3039 k = 0.5000 0.1979 0.3324 ( 8048 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4089 -10.4089 -10.4070 -10.4067 -9.3883 -9.3875 -9.3746 -9.3737 -9.3687 -9.3686 2.6695 2.6700 5.0964 5.1386 5.2880 5.3662 5.7482 5.7969 6.3058 6.3513 6.9780 7.0141 7.0303 7.1488 9.8462 9.9722 10.6626 10.8037 13.3559 13.3865 13.7139 13.9110 14.7904 15.0164 16.0647 16.1715 k = 0.5000 0.2062 0.3208 ( 8048 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4088 -10.4088 -10.4071 -10.4068 -9.3883 -9.3875 -9.3746 -9.3738 -9.3687 -9.3685 2.6480 2.6484 5.1039 5.1392 5.2842 5.3514 5.7430 5.7836 6.3053 6.3427 6.9830 7.0084 7.0378 7.1425 9.9950 10.1176 10.7573 10.8926 13.3057 13.3424 13.7033 13.8950 14.6185 14.8426 15.9273 16.0306 k = 0.5000 0.2144 0.3091 ( 8056 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4088 -10.4088 -10.4071 -10.4068 -9.3883 -9.3876 -9.3746 -9.3740 -9.3686 -9.3685 2.6283 2.6285 5.1120 5.1408 5.2800 5.3367 5.7373 5.7715 6.3048 6.3353 6.9860 7.0034 7.0459 7.1371 10.1433 10.2611 10.8509 10.9780 13.2522 13.2938 13.6979 13.8823 14.4577 14.6770 15.7908 15.8881 k = 0.5000 0.2227 0.2974 ( 8054 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4088 -10.4088 -10.4072 -10.4069 -9.3883 -9.3877 -9.3746 -9.3740 -9.3686 -9.3685 2.6103 2.6105 5.1204 5.1432 5.2755 5.3224 5.7316 5.7605 6.3045 6.3291 6.9876 6.9991 7.0541 7.1326 10.2897 10.4008 10.9432 11.0594 13.1944 13.2387 13.6979 13.8724 14.3115 14.5219 15.6587 15.7486 k = 0.5000 0.2309 0.2858 ( 8052 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4087 -10.4087 -10.4072 -10.4070 -9.3884 -9.3878 -9.3746 -9.3741 -9.3685 -9.3685 2.5943 2.5945 5.1290 5.1463 5.2706 5.3084 5.7261 5.7506 6.3042 6.3238 6.9881 6.9954 7.0622 7.1287 10.4323 10.5343 11.0346 11.1366 13.1310 13.1749 13.7032 13.8641 14.1844 14.3799 15.5338 15.6153 k = 0.5000 0.2392 0.2741 ( 8060 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4087 -10.4087 -10.4072 -10.4071 -9.3884 -9.3878 -9.3746 -9.3742 -9.3685 -9.3685 2.5802 2.5804 5.1377 5.1501 5.2655 5.2951 5.7211 5.7417 6.3040 6.3194 6.9881 6.9925 7.0698 7.1252 10.5682 10.6584 11.1252 11.2095 13.0615 13.1013 13.7134 13.8558 14.0808 14.2535 15.4184 15.4908 k = 0.5000 0.2474 0.2624 ( 8052 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4086 -10.4086 -10.4073 -10.4072 -9.3883 -9.3879 -9.3746 -9.3743 -9.3684 -9.3684 2.5682 2.5684 5.1462 5.1545 5.2601 5.2826 5.7168 5.7339 6.3039 6.3158 6.9876 6.9901 7.0770 7.1219 10.6939 10.7693 11.2151 11.2787 12.9861 13.0188 13.7278 13.8445 14.0044 14.1449 15.3150 15.3777 k = 0.5000 0.2557 0.2508 ( 8054 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4086 -10.4086 -10.4073 -10.4072 -9.3883 -9.3880 -9.3746 -9.3743 -9.3684 -9.3684 2.5583 2.5585 5.1543 5.1592 5.2548 5.2711 5.7134 5.7271 6.3039 6.3129 6.9870 6.9882 7.0836 7.1188 10.8049 10.8634 11.3029 11.3445 12.9071 12.9314 13.7450 13.8279 13.9564 14.0558 15.2262 15.2783 k = 0.5000 0.2639 0.2391 ( 8050 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4086 -10.4086 -10.4073 -10.4073 -9.3883 -9.3880 -9.3746 -9.3744 -9.3684 -9.3684 2.5506 2.5507 5.1615 5.1639 5.2498 5.2610 5.7111 5.7214 6.3041 6.3105 6.9864 6.9869 7.0896 7.1156 10.8962 10.9376 11.3849 11.4066 12.8292 12.8463 13.7626 13.8090 13.9304 13.9873 15.1546 15.1953 k = 0.5000 0.2722 0.2275 ( 8050 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4085 -10.4085 -10.4074 -10.4073 -9.3883 -9.3881 -9.3746 -9.3745 -9.3684 -9.3684 2.5451 2.5452 5.1674 5.1682 5.2457 5.2527 5.7099 5.7167 6.3045 6.3086 6.9858 6.9860 7.0951 7.1122 10.9642 10.9900 11.4539 11.4615 12.7611 12.7729 13.7771 13.7943 13.9160 13.9408 15.1031 15.1312 k = 0.5000 0.2804 0.2158 ( 8050 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4085 -10.4085 -10.4074 -10.4073 -9.3882 -9.3882 -9.3746 -9.3745 -9.3684 -9.3684 2.5418 2.5418 5.1713 5.1714 5.2434 5.2467 5.7098 5.7132 6.3051 6.3071 6.9854 6.9854 7.1001 7.1086 11.0072 11.0195 11.5005 11.5015 12.7145 12.7210 13.7845 13.7870 13.9071 13.9160 15.0741 15.0885 k = 0.5000 0.2887 0.2041 ( 8050 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4085 -10.4085 -10.4074 -10.4074 -9.3882 -9.3882 -9.3745 -9.3745 -9.3684 -9.3684 2.5407 2.5407 5.1726 5.1726 5.2435 5.2435 5.7109 5.7109 6.3060 6.3060 6.9853 6.9853 7.1045 7.1045 11.0254 11.0254 11.5168 11.5168 12.6999 12.6999 13.7856 13.7856 13.9064 13.9064 15.0691 15.0691 k = 0.5000 0.2887 0.2041 ( 8050 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4085 -10.4085 -10.4074 -10.4074 -9.3882 -9.3882 -9.3745 -9.3745 -9.3684 -9.3684 2.5407 2.5407 5.1726 5.1726 5.2435 5.2435 5.7109 5.7109 6.3060 6.3060 6.9853 6.9853 7.1045 7.1045 11.0254 11.0254 11.5168 11.5168 12.6999 12.6999 13.7856 13.7856 13.9064 13.9064 15.0691 15.0691 k = 0.4958 0.2863 0.2177 ( 8048 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4085 -10.4085 -10.4074 -10.4073 -9.3882 -9.3882 -9.3746 -9.3745 -9.3684 -9.3684 2.5418 2.5418 5.1713 5.1713 5.2434 5.2467 5.7098 5.7133 6.3051 6.3071 6.9854 6.9854 7.1000 7.1086 11.0069 11.0193 11.5004 11.5010 12.7148 12.7214 13.7856 13.7858 13.9074 13.9159 15.0743 15.0888 k = 0.4917 0.2839 0.2313 ( 8044 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4085 -10.4085 -10.4073 -10.4073 -9.3883 -9.3881 -9.3746 -9.3744 -9.3684 -9.3684 2.5452 2.5453 5.1676 5.1679 5.2458 5.2528 5.7099 5.7168 6.3045 6.3087 6.9859 6.9859 7.0950 7.1123 10.9631 10.9890 11.4546 11.4586 12.7627 12.7738 13.7847 13.7859 13.9216 13.9369 15.1040 15.1323 k = 0.4875 0.2815 0.2449 ( 8048 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4086 -10.4086 -10.4073 -10.4073 -9.3883 -9.3880 -9.3746 -9.3744 -9.3684 -9.3684 2.5508 2.5510 5.1621 5.1630 5.2501 5.2611 5.7112 5.7215 6.3041 6.3106 6.9866 6.9867 7.0895 7.1157 10.8943 10.9347 11.3884 11.3994 12.8332 12.8462 13.7828 13.7861 13.9519 13.9717 15.1567 15.1975 k = 0.4833 0.2791 0.2586 ( 8048 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4086 -10.4086 -10.4073 -10.4072 -9.3883 -9.3880 -9.3746 -9.3743 -9.3684 -9.3684 2.5587 2.5589 5.1554 5.1574 5.2555 5.2712 5.7136 5.7273 6.3039 6.3130 6.9876 6.9877 7.0833 7.1189 10.8019 10.8571 11.3117 11.3321 12.9138 12.9261 13.7845 13.7899 13.9986 14.0209 15.2303 15.2820 k = 0.4792 0.2766 0.2722 ( 8057 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4086 -10.4086 -10.4073 -10.4072 -9.3884 -9.3879 -9.3746 -9.3743 -9.3684 -9.3684 2.5688 2.5690 5.1479 5.1518 5.2614 5.2825 5.7171 5.7342 6.3040 6.3159 6.9887 6.9891 7.0766 7.1221 10.6895 10.7581 11.2313 11.2612 12.9919 13.0017 13.7969 13.8040 14.0601 14.0839 15.3221 15.3831 k = 0.4750 0.2742 0.2858 ( 8061 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4087 -10.4087 -10.4072 -10.4071 -9.3884 -9.3878 -9.3746 -9.3742 -9.3685 -9.3684 2.5810 2.5812 5.1401 5.1463 5.2676 5.2948 5.7215 5.7421 6.3043 6.3193 6.9900 6.9907 7.0694 7.1254 10.5617 10.6413 11.1504 11.1887 13.0566 13.0630 13.8278 13.8362 14.1346 14.1592 15.4299 15.4985 k = 0.4708 0.2718 0.2994 ( 8057 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4087 -10.4087 -10.4072 -10.4070 -9.3884 -9.3878 -9.3746 -9.3741 -9.3685 -9.3685 2.5954 2.5956 5.1321 5.1412 5.2738 5.3078 5.7268 5.7509 6.3049 6.3234 6.9913 6.9923 7.0616 7.1290 10.4229 10.5111 11.0698 11.1147 13.1003 13.1033 13.8823 13.8924 14.2204 14.2451 15.5512 15.6259 k = 0.4667 0.2694 0.3130 ( 8057 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4088 -10.4087 -10.4071 -10.4069 -9.3883 -9.3877 -9.3746 -9.3740 -9.3686 -9.3685 2.6117 2.6119 5.1240 5.1368 5.2799 5.3215 5.7327 5.7605 6.3059 6.3282 6.9924 6.9939 7.0536 7.1332 10.2767 10.3715 10.9892 11.0393 13.1212 13.1217 13.9606 13.9734 14.3161 14.3403 15.6840 15.7629 k = 0.4625 0.2670 0.3266 ( 8051 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4088 -10.4088 -10.4071 -10.4068 -9.3883 -9.3876 -9.3746 -9.3739 -9.3686 -9.3685 2.6301 2.6302 5.1161 5.1330 5.2858 5.3357 5.7390 5.7709 6.3073 6.3337 6.9932 6.9950 7.0458 7.1380 10.1261 10.2260 10.9082 10.9624 13.1218 13.1228 14.0584 14.0752 14.4204 14.4435 15.8262 15.9073 k = 0.4583 0.2646 0.3402 ( 8051 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4089 -10.4088 -10.4071 -10.4068 -9.3883 -9.3875 -9.3746 -9.3738 -9.3687 -9.3685 2.6503 2.6504 5.1082 5.1301 5.2915 5.3505 5.7455 5.7820 6.3092 6.3399 6.9937 6.9946 7.0391 7.1438 9.9732 10.0770 10.8267 10.8843 13.1090 13.1104 14.1700 14.1920 14.5321 14.5536 15.9752 16.0558 k = 0.4542 0.2622 0.3538 ( 8051 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2939 -31.2937 -31.2937 -10.4089 -10.4088 -10.4070 -10.4067 -9.3883 -9.3874 -9.3746 -9.3737 -9.3688 -9.3685 2.6723 2.6723 5.1006 5.1280 5.2969 5.3656 5.7519 5.7938 6.3118 6.3468 6.9912 6.9934 7.0350 7.1509 9.8196 9.9264 10.7447 10.8051 13.0879 13.0891 14.2906 14.3186 14.6503 14.6695 16.1276 16.2039 k = 0.4500 0.2598 0.3674 ( 8049 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4090 -10.4089 -10.4070 -10.4066 -9.3883 -9.3874 -9.3746 -9.3736 -9.3688 -9.3685 2.6958 2.6959 5.0933 5.1269 5.3022 5.3812 5.7580 5.8061 6.3153 6.3544 6.9838 6.9925 7.0345 7.1593 9.6666 9.7758 10.6625 10.7253 13.0617 13.0623 14.4165 14.4513 14.7740 14.7903 16.2778 16.3443 k = 0.4458 0.2574 0.3810 ( 8046 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4090 -10.4089 -10.4069 -10.4065 -9.3882 -9.3873 -9.3746 -9.3735 -9.3689 -9.3686 2.7208 2.7210 5.0862 5.1269 5.3071 5.3971 5.7634 5.8190 6.3198 6.3625 6.9729 6.9906 7.0373 7.1693 9.5155 9.6262 10.5802 10.6450 13.0325 13.0328 14.5450 14.5874 14.9024 14.9151 16.4154 16.4639 k = 0.4417 0.2550 0.3946 ( 8048 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4091 -10.4089 -10.4069 -10.4064 -9.3882 -9.3872 -9.3746 -9.3733 -9.3690 -9.3686 2.7471 2.7475 5.0794 5.1279 5.3118 5.4135 5.7677 5.8323 6.3254 6.3712 6.9593 6.9878 7.0423 7.1808 9.3671 9.4787 10.4981 10.5648 13.0010 13.0025 14.6739 14.7246 15.0344 15.0429 16.5205 16.5437 k = 0.4375 0.2526 0.4082 ( 8047 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4091 -10.4089 -10.4069 -10.4063 -9.3882 -9.3871 -9.3746 -9.3732 -9.3691 -9.3686 2.7746 2.7751 5.0730 5.1300 5.3162 5.4302 5.7708 5.8460 6.3325 6.3802 6.9438 6.9841 7.0489 7.1940 9.2223 9.3341 10.4165 10.4849 12.9691 12.9718 14.8010 14.8607 15.1694 15.1728 16.5670 16.5686 k = 0.4333 0.2502 0.4219 ( 8041 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4091 -10.4089 -10.4069 -10.4063 -9.3881 -9.3871 -9.3746 -9.3731 -9.3692 -9.3685 2.8031 2.8038 5.0668 5.1333 5.3204 5.4473 5.7723 5.8600 6.3411 6.3893 6.9267 6.9793 7.0569 7.2088 9.0821 9.1932 10.3357 10.4056 12.9373 12.9414 14.9237 14.9932 15.3040 15.3065 16.5465 16.5522 k = 0.4292 0.2478 0.4355 ( 8043 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4092 -10.4089 -10.4068 -10.4062 -9.3881 -9.3870 -9.3746 -9.3729 -9.3693 -9.3685 2.8323 2.8332 5.0610 5.1377 5.3242 5.4649 5.7720 5.8742 6.3513 6.3984 6.9083 6.9737 7.0659 7.2249 8.9471 9.0568 10.2559 10.3271 12.9062 12.9116 15.0382 15.1179 15.4356 15.4448 16.5012 16.5044 k = 0.4250 0.2454 0.4491 ( 8043 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4092 -10.4089 -10.4068 -10.4061 -9.3880 -9.3870 -9.3746 -9.3727 -9.3694 -9.3685 2.8620 2.8632 5.0554 5.1434 5.3278 5.4829 5.7698 5.8886 6.3633 6.4069 6.8888 6.9672 7.0758 7.2422 8.8184 8.9257 10.1773 10.2498 12.8758 12.8827 15.1389 15.2280 15.5674 15.5836 16.4531 16.4548 k = 0.4208 0.2430 0.4627 ( 8040 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4092 -10.4089 -10.4068 -10.4060 -9.3880 -9.3869 -9.3746 -9.3726 -9.3695 -9.3685 2.8920 2.8935 5.0501 5.1502 5.3310 5.5014 5.7657 5.9031 6.3770 6.4146 6.8685 6.9599 7.0864 7.2604 8.6967 8.8007 10.1003 10.1739 12.8465 12.8549 15.2182 15.3133 15.7000 15.7221 16.4194 16.4242 k = 0.4167 0.2406 0.4763 ( 8035 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4092 -10.4089 -10.4068 -10.4060 -9.3879 -9.3869 -9.3746 -9.3724 -9.3696 -9.3685 2.9220 2.9238 5.0451 5.1581 5.3337 5.5205 5.7596 5.9174 6.3925 6.4209 6.8479 6.9519 7.0976 7.2789 8.5829 8.6827 10.0250 10.0996 12.8184 12.8282 15.2675 15.3624 15.8349 15.8599 16.4182 16.4227 k = 0.4125 0.2382 0.4899 ( 8042 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4093 -10.4089 -10.4068 -10.4059 -9.3879 -9.3868 -9.3746 -9.3723 -9.3697 -9.3684 2.9517 2.9538 5.0402 5.1670 5.3360 5.5401 5.7518 5.9315 6.4097 6.4252 6.8274 6.9434 7.1089 7.2973 8.4781 8.5727 9.9517 10.0272 12.7915 12.8028 15.2811 15.3688 15.9739 15.9973 16.4560 16.4574 k = 0.4083 0.2358 0.5035 ( 8050 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4093 -10.4089 -10.4068 -10.4059 -9.3879 -9.3868 -9.3746 -9.3721 -9.3699 -9.3684 2.9808 2.9832 5.0354 5.1767 5.3376 5.5603 5.7427 5.9450 6.4270 6.4285 6.8079 6.9344 7.1202 7.3148 8.3832 8.4719 9.8806 9.9568 12.7657 12.7787 15.2600 15.3363 16.1178 16.1352 16.5272 16.5290 k = 0.4042 0.2333 0.5171 ( 8060 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2937 -31.2937 -10.4093 -10.4089 -10.4069 -10.4058 -9.3878 -9.3868 -9.3746 -9.3719 -9.3700 -9.3684 3.0089 3.0117 5.0307 5.1870 5.3385 5.5809 5.7328 5.9577 6.4259 6.4486 6.7902 6.9250 7.1309 7.3303 8.2990 8.3815 9.8118 9.8886 12.7412 12.7558 15.2108 15.2755 16.2657 16.2739 16.6244 16.6267 k = 0.4000 0.2309 0.5307 ( 8068 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4089 -10.4069 -10.4058 -9.3878 -9.3868 -9.3746 -9.3718 -9.3701 -9.3683 3.0357 3.0388 5.0260 5.1973 5.3386 5.6018 5.7228 5.9689 6.4216 6.4700 6.7752 6.9155 7.1406 7.3427 8.2266 8.3031 9.7457 9.8229 12.7179 12.7341 15.1420 15.1964 16.4134 16.4165 16.7389 16.7395 k = 0.3958 0.2285 0.5443 ( 8058 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4088 -10.4069 -10.4057 -9.3878 -9.3868 -9.3746 -9.3717 -9.3701 -9.3683 3.0608 3.0642 5.0212 5.2070 5.3377 5.6229 5.7137 5.9783 6.4145 6.4923 6.7636 6.9060 7.1487 7.3506 8.1665 8.2383 9.6823 9.7598 12.6958 12.7137 15.0605 15.1064 16.5524 16.5686 16.8572 16.8646 k = 0.3917 0.2261 0.5579 ( 8056 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4088 -10.4069 -10.4057 -9.3877 -9.3868 -9.3746 -9.3716 -9.3702 -9.3683 3.0837 3.0875 5.0162 5.2150 5.3361 5.6436 5.7065 5.9851 6.4059 6.5152 6.7557 6.8969 7.1547 7.3528 8.1195 8.1885 9.6221 9.6996 12.6748 12.6944 14.9712 15.0102 16.6889 16.7202 16.9746 16.9936 k = 0.3875 0.2237 0.5715 ( 8057 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4088 -10.4069 -10.4057 -9.3877 -9.3868 -9.3746 -9.3715 -9.3702 -9.3682 3.1042 3.1083 5.0110 5.2200 5.3343 5.6632 5.7025 5.9886 6.3978 6.5385 6.7515 6.8885 7.1584 7.3482 8.0857 8.1548 9.5651 9.6424 12.6548 12.6762 14.8774 14.9108 16.8196 16.8687 17.0851 17.1209 k = 0.3833 0.2213 0.5852 ( 8069 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4088 -10.4070 -10.4057 -9.3877 -9.3868 -9.3746 -9.3715 -9.3702 -9.3682 3.1217 3.1261 5.0055 5.2203 5.3331 5.6806 5.7028 5.9889 6.3924 6.5617 6.7505 6.8813 7.1595 7.3366 8.0649 8.1372 9.5115 9.5885 12.6359 12.6591 14.7813 14.8102 16.9403 17.0098 17.1834 17.2414 k = 0.3792 0.2189 0.5988 ( 8061 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4087 -10.4070 -10.4057 -9.3877 -9.3868 -9.3746 -9.3715 -9.3701 -9.3682 3.1358 3.1405 4.9995 5.2144 5.3334 5.6944 5.7082 5.9864 6.3921 6.5841 6.7520 6.8760 7.1582 7.3188 8.0568 8.1351 9.4617 9.5381 12.6178 12.6431 14.6844 14.7095 17.0456 17.1343 17.2690 17.3495 k = 0.3750 0.2165 0.6124 ( 8072 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4087 -10.4071 -10.4057 -9.3877 -9.3868 -9.3746 -9.3715 -9.3701 -9.3682 3.1463 3.1512 4.9932 5.2018 5.3357 5.7024 5.7193 5.9831 6.3983 6.6051 6.7557 6.8736 7.1549 7.2961 8.0604 8.1468 9.4159 9.4913 12.6007 12.6280 14.5876 14.6098 17.1300 17.2244 17.3530 17.4403 k = 0.6250-0.0722 0.4082 ( 8072 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4093 -10.4087 -10.4071 -10.4057 -9.3877 -9.3868 -9.3746 -9.3715 -9.3701 -9.3682 3.1463 3.1512 4.9932 5.2018 5.3357 5.7024 5.7193 5.9831 6.3983 6.6051 6.7557 6.8736 7.1549 7.2961 8.0604 8.1468 9.4159 9.4913 12.6007 12.6280 14.5876 14.6098 17.1300 17.2244 17.3530 17.4403 k = 0.6181-0.0842 0.4082 ( 8062 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2937 -10.4092 -10.4086 -10.4071 -10.4057 -9.3877 -9.3869 -9.3746 -9.3716 -9.3699 -9.3681 3.1593 3.1645 4.9818 5.1734 5.3428 5.7076 5.7426 5.9779 6.4170 6.6397 6.7646 6.8723 7.1491 7.2570 8.0779 8.1781 9.3442 9.4179 12.5724 12.6033 14.4275 14.4456 17.2518 17.3375 17.4996 17.5772 k = 0.6111-0.0962 0.4082 ( 8060 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2938 -10.4092 -10.4086 -10.4072 -10.4057 -9.3877 -9.3869 -9.3746 -9.3717 -9.3697 -9.3681 3.1703 3.1758 4.9699 5.1425 5.3525 5.7089 5.7654 5.9716 6.4399 6.6764 6.7764 6.8701 7.1450 7.2219 8.0997 8.2117 9.2753 9.3472 12.5430 12.5778 14.2692 14.2846 17.3754 17.4534 17.6482 17.7171 k = 0.6042-0.1083 0.4082 ( 8042 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2938 -10.4092 -10.4085 -10.4073 -10.4057 -9.3877 -9.3870 -9.3745 -9.3719 -9.3695 -9.3681 3.1795 3.1852 4.9576 5.1110 5.3637 5.7074 5.7865 5.9638 6.4654 6.7151 6.7912 6.8669 7.1428 7.1912 8.1259 8.2476 9.2094 9.2793 12.5122 12.5511 14.1145 14.1281 17.5008 17.5720 17.7985 17.8598 k = 0.5972-0.1203 0.4082 ( 8050 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2938 -10.4092 -10.4085 -10.4073 -10.4057 -9.3877 -9.3871 -9.3745 -9.3720 -9.3694 -9.3680 3.1872 3.1930 4.9451 5.0801 5.3759 5.7041 5.8054 5.9544 6.4918 6.7551 6.8089 6.8622 7.1423 7.1650 8.1562 8.2855 9.1465 9.2143 12.4795 12.5227 13.9647 13.9776 17.6281 17.6932 17.9502 18.0046 k = 0.5903-0.1323 0.4082 ( 8058 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2938 -10.4091 -10.4084 -10.4074 -10.4058 -9.3878 -9.3871 -9.3745 -9.3721 -9.3692 -9.3680 3.1935 3.1994 4.9325 5.0503 5.3888 5.6997 5.8216 5.9438 6.5177 6.7958 6.8293 6.8560 7.1435 7.1436 8.1905 8.3253 9.0869 9.1525 12.4445 12.4920 13.8215 13.8347 17.7573 17.8170 18.1031 18.1511 k = 0.5833-0.1443 0.4082 ( 8058 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2938 -10.4091 -10.4083 -10.4075 -10.4058 -9.3878 -9.3872 -9.3744 -9.3722 -9.3691 -9.3680 3.1985 3.2044 4.9200 5.0220 5.4023 5.6946 5.8351 5.9322 6.5420 6.8354 6.8492 6.8519 7.1268 7.1464 8.2284 8.3666 9.0308 9.0940 12.4068 12.4585 13.6865 13.7006 17.8885 17.9432 18.2568 18.2983 k = 0.5764-0.1564 0.4082 ( 8054 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2938 -10.4091 -10.4083 -10.4075 -10.4059 -9.3878 -9.3873 -9.3744 -9.3724 -9.3690 -9.3679 3.2026 3.2083 4.9079 4.9955 5.4163 5.6892 5.8459 5.9202 6.5640 6.8372 6.8760 6.8780 7.1145 7.1506 8.2698 8.4089 8.9783 9.0389 12.3658 12.4216 13.5612 13.5768 18.0215 18.0717 18.4108 18.4453 k = 0.5694-0.1684 0.4082 ( 8046 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2938 -10.4090 -10.4082 -10.4076 -10.4059 -9.3878 -9.3873 -9.3744 -9.3725 -9.3688 -9.3679 3.2057 3.2113 4.8963 4.9710 5.4307 5.6835 5.8540 5.9080 6.5837 6.8263 6.9007 6.9168 7.1060 7.1559 8.3139 8.4518 8.9299 8.9876 12.3216 12.3806 13.4473 13.4645 18.1564 18.2022 18.5645 18.5903 k = 0.5625-0.1804 0.4082 ( 8050 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2938 -10.4090 -10.4082 -10.4076 -10.4060 -9.3878 -9.3874 -9.3743 -9.3726 -9.3687 -9.3679 3.2082 3.2135 4.8854 4.9485 5.4455 5.6774 5.8597 5.8962 6.6012 6.8143 6.9251 6.9536 7.1011 7.1621 8.3600 8.4943 8.8858 8.9403 12.2743 12.3354 13.3460 13.3647 18.2927 18.3344 18.7170 18.7304 k = 0.5556-0.1925 0.4082 ( 8052 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2938 -10.4090 -10.4081 -10.4076 -10.4061 -9.3878 -9.3875 -9.3743 -9.3727 -9.3686 -9.3679 3.2100 3.2150 4.8753 4.9282 5.4606 5.6709 5.8633 5.8852 6.6167 6.8018 6.9484 6.9876 7.0992 7.1687 8.4073 8.5356 8.8464 8.8972 12.2246 12.2863 13.2581 13.2777 18.4303 18.4678 18.8597 18.8672 k = 0.5486-0.2045 0.4082 ( 8068 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2938 -10.4089 -10.4082 -10.4075 -10.4062 -9.3879 -9.3875 -9.3742 -9.3729 -9.3685 -9.3678 3.2114 3.2159 4.8663 4.9100 5.4760 5.6638 5.8650 5.8753 6.6307 6.7890 6.9701 7.0174 7.1003 7.1751 8.4544 8.5741 8.8122 8.8588 12.1739 12.2342 13.1840 13.2038 18.5685 18.6017 18.9700 19.0106 k = 0.5417-0.2165 0.4082 ( 8068 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2938 -10.4089 -10.4082 -10.4075 -10.4063 -9.3879 -9.3876 -9.3741 -9.3730 -9.3684 -9.3678 3.2124 3.2165 4.8584 4.8940 5.4915 5.6557 5.8651 5.8669 6.6434 6.7764 6.9899 7.0413 7.1053 7.1810 8.5000 8.6081 8.7843 8.8255 12.1239 12.1807 13.1234 13.1422 18.7063 18.7349 19.0575 19.0812 k = 0.5347-0.2285 0.4082 ( 8074 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2938 -10.4088 -10.4082 -10.4074 -10.4064 -9.3879 -9.3877 -9.3741 -9.3731 -9.3683 -9.3678 3.2132 3.2167 4.8518 4.8802 5.5073 5.6466 5.8602 5.8640 6.6552 6.7640 7.0074 7.0573 7.1154 7.1859 8.5421 8.6350 8.7640 8.7980 12.0770 12.1282 13.0752 13.0923 18.8420 18.8656 19.1263 19.1366 k = 0.5278-0.2406 0.4082 ( 8076 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2938 -10.4088 -10.4083 -10.4073 -10.4065 -9.3879 -9.3877 -9.3740 -9.3732 -9.3682 -9.3678 3.2138 3.2167 4.8467 4.8685 5.5230 5.6363 5.8554 5.8620 6.6663 6.7520 7.0227 7.0656 7.1296 7.1892 8.5788 8.6515 8.7536 8.7770 12.0357 12.0793 13.0384 13.0529 18.9729 18.9907 19.1810 19.1841 k = 0.5208-0.2526 0.4082 ( 8076 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2938 -10.4087 -10.4084 -10.4072 -10.4066 -9.3879 -9.3877 -9.3739 -9.3733 -9.3681 -9.3679 3.2143 3.2165 4.8431 4.8590 5.5388 5.6249 5.8523 5.8595 6.6770 6.7405 7.0357 7.0687 7.1449 7.1905 8.6077 8.6568 8.7529 8.7636 12.0021 12.0364 13.0117 13.0230 19.0934 19.1050 19.2228 19.2233 k = 0.5139-0.2646 0.4082 ( 8072 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2938 -10.4087 -10.4084 -10.4071 -10.4067 -9.3879 -9.3878 -9.3738 -9.3734 -9.3680 -9.3679 3.2147 3.2162 4.8411 4.8515 5.5544 5.6124 5.8509 5.8568 6.6874 6.7293 7.0465 7.0686 7.1591 7.1896 8.6275 8.6550 8.7567 8.7579 11.9785 12.0021 12.9941 13.0018 19.1944 19.2002 19.2517 19.2537 k = 0.5069-0.2766 0.4082 ( 8072 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5817 -31.5816 -31.2939 -31.2938 -31.2938 -31.2938 -10.4086 -10.4085 -10.4070 -10.4068 -9.3879 -9.3878 -9.3737 -9.3735 -9.3680 -9.3679 3.2151 3.2159 4.8409 4.8460 5.5697 5.5989 5.8510 5.8542 6.6977 6.7186 7.0551 7.0662 7.1708 7.1861 8.6391 8.6508 8.7579 8.7596 11.9661 11.9782 12.9846 12.9885 19.2607 19.2648 19.2701 19.2742 k = 0.5000-0.2887 0.4082 ( 8080 PWs) bands (ev): -64.6256 -64.6256 -35.4117 -35.4117 -31.5816 -31.5816 -31.2939 -31.2939 -31.2938 -31.2938 -10.4086 -10.4086 -10.4069 -10.4069 -9.3878 -9.3878 -9.3736 -9.3736 -9.3679 -9.3679 3.2155 3.2155 4.8425 4.8425 5.5846 5.5846 5.8522 5.8522 6.7081 6.7081 7.0617 7.0617 7.1799 7.1799 8.6459 8.6459 8.7597 8.7597 11.9660 11.9660 12.9828 12.9828 19.2751 19.2751 19.2898 19.2898 Writing output data file LiMgSnAu.save init_run : 1.10s CPU 0.66s WALL ( 1 calls) electrons : 358.51s CPU 240.54s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.10s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 358.51s CPU 240.52s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.18s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.53s CPU 0.60s WALL ( 328 calls) cegterg : 310.45s CPU 212.23s WALL ( 394 calls) Called by sum_band: Called by *egterg: h_psi : 250.35s CPU 151.23s WALL ( 6570 calls) s_psi : 8.35s CPU 5.77s WALL ( 6570 calls) g_psi : 0.58s CPU 0.41s WALL ( 5848 calls) cdiaghg : 57.10s CPU 48.65s WALL ( 6176 calls) cegterg:over : 12.24s CPU 9.78s WALL ( 5848 calls) cegterg:upda : 12.08s CPU 9.90s WALL ( 5848 calls) cegterg:last : 5.13s CPU 4.53s WALL ( 1254 calls) cdiaghg:chol : 3.40s CPU 2.85s WALL ( 6176 calls) cdiaghg:inve : 1.89s CPU 1.79s WALL ( 6176 calls) cdiaghg:para : 3.41s CPU 2.84s WALL ( 12352 calls) Called by h_psi: h_psi:vloc : 233.19s CPU 139.34s WALL ( 6570 calls) h_psi:vnl : 16.59s CPU 11.47s WALL ( 6570 calls) add_vuspsi : 8.65s CPU 5.90s WALL ( 6570 calls) General routines calbec : 7.89s CPU 5.55s WALL ( 6570 calls) fft : 0.11s CPU 0.05s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 221.41s CPU 131.52s WALL ( 708112 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.27s CPU 1.49s WALL ( 656 calls) Parallel routines fft_scatter : 76.58s CPU 52.42s WALL ( 708135 calls) PWSCF : 6m22.29s CPU 4m36.82s WALL This run was terminated on: 6:17:31 11Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=